(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C27H28ClNO6 MolecularWeight: 497.96732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28ClNO6/c1-16-17(2)25(30)34-23-13-24(22(28)12-21(16)23)35-26(31)20-10-8-18(9-11-20)14-29-27(32)33-15-19-6-4-3-5-7-19/h3-7,12-13,18,20H,8-11,14-15H2,1-2H3,(H,29,32)