(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (6-chloro-2-keto-4-phenyl-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=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl

InChI

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