[3-(4-chlorophenyl)-2-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [3-(4-chlorophenyl)-2-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: [3-(4-chlorophenyl)-2-oxo-chromen-7-yl] 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid [3-(4-chlorophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid [3-(4-chlorophenyl)-2-keto-chromen-7-yl] ester Formula: C31H28ClNO6 MolecularWeight: 546.01012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=C(C(=O)O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=C(C(=O)O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H28ClNO6/c32-25-13-10-22(11-14-25)27-16-24-12-15-26(17-28(24)39-30(27)35)38-29(34)23-8-6-20(7-9-23)18-33-31(36)37-19-21-4-2-1-3-5-21/h1-5,10-17,20,23H,6-9,18-19H2,(H,33,36)