(phenylmethyl) 3-[[phenyl(propanoyl)amino]methyl]azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[phenyl(propanoyl)amino]methyl]azepane-1-carboxylate Openeye Name: benzyl 3-[(N-propanoylanilino)methyl]azepane-1-carboxylate CAS Name: 3-[[N-(1-oxopropyl)anilino]methyl]-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(N-propanoylanilino)methyl]azepane-1-carboxylate Traditional Name: 3-[(N-propionylanilino)methyl]azepane-1-carboxylic acid benzyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1CCCCN(C1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(CC1CCCCN(C1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-2-23(27)26(22-14-7-4-8-15-22)18-21-13-9-10-16-25(17-21)24(28)29-19-20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,2,9-10,13,16-19H2,1H3