[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]benzoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate Traditional Name: 2-[(4-chlorobenzoyl)amino]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O4/c23-17-11-9-16(10-12-17)21(27)24-19-8-4-3-7-18(19)22(28)29-15-20(26)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,24,27)