loading...| Preferred Name |
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate |
|
| Synonyms |
|
|
| Definitions |
A propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_77401 |
|
| charge |
0 |
|
| definition |
A propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3. |
|
| formula |
C22H29NO2 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:77401 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3 |
|
| inchikey |
XLMALTXPSGQGBX-UHFFFAOYSA-N |
|
| label |
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate |
|
| mass |
339.47120 |
|
| monoisotopicmass |
339.21983 |
|
| notation |
CHEBI:77401 |
|
| prefLabel |
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate |
|
| smiles |
CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c1ccccc1 |
|
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_77401 | CHEBI | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | PDRO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | NIFSTD | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | CHEBI | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | PDRO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77401 | NIFSTD | LOOM |