[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]methyl benzoate

Systemtic Name: [2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]methyl benzoate Openeye Name: [2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]methyl benzoate CAS Name: benzoic acid [2-[[3-(1-imidazolyl)propylamino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]methyl benzoate Traditional Name: benzoic acid [2-(3-imidazol-1-ylpropylcarbamoyl)benzyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C21H21N3O3/c25-20(23-11-6-13-24-14-12-22-16-24)19-10-5-4-9-18(19)15-27-21(26)17-7-2-1-3-8-17/h1-5,7-10,12,14,16H,6,11,13,15H2,(H,23,25)