[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H27ClN2O4/c25-20-13-7-6-12-19(20)24(30)26-21(18-10-4-3-5-11-18)16-23(29)31-17-22(28)27-14-8-1-2-9-15-27/h3-7,10-13,21H,1-2,8-9,14-17H2,(H,26,30)