[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN2O4/c1-14(2)18(22-19(25)15-7-9-16(21)10-8-15)20(26)27-13-17(24)23-11-5-3-4-6-12-23/h7-10,14,18H,3-6,11-13H2,1-2H3,(H,22,25)