[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2,4,6-trimethylbenzoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C23H24ClNO4 MolecularWeight: 413.89396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H24ClNO4/c1-14-12-15(2)20(16(3)13-14)23(28)29-19-6-4-5-11-25(22(19)27)21(26)17-7-9-18(24)10-8-17/h7-10,12-13,19H,4-6,11H2,1-3H3