(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C28H28ClNO6 MolecularWeight: 509.97802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H28ClNO6/c29-23-13-22-20-7-4-8-21(20)27(32)35-24(22)14-25(23)36-26(31)19-11-9-17(10-12-19)15-30-28(33)34-16-18-5-2-1-3-6-18/h1-3,5-6,13-14,17,19H,4,7-12,15-16H2,(H,30,33)