[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C34H35NO6 MolecularWeight: 553.6448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H35NO6/c1-22-17-29(31-23(2)28(33(37)41-30(31)18-22)19-24-9-5-3-6-10-24)40-32(36)27-15-13-25(14-16-27)20-35-34(38)39-21-26-11-7-4-8-12-26/h3-12,17-18,25,27H,13-16,19-21H2,1-2H3,(H,35,38)