[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c1-12(24)14-10-16(22-11-14)20(27)28-17-4-2-3-9-23(19(17)26)18(25)13-5-7-15(21)8-6-13/h5-8,10-11,17,22H,2-4,9H2,1H3