(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO6/c1-17-12-22-25(18(2)14-24(29)33-22)23(13-17)34-26(30)21-10-8-19(9-11-21)15-28-27(31)32-16-20-6-4-3-5-7-20/h3-7,12-14,19,21H,8-11,15-16H2,1-2H3,(H,28,31)