(2-oxidanylidene-4-propyl-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C28H31NO6 MolecularWeight: 477.54884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO6/c1-2-6-22-15-26(30)35-25-16-23(13-14-24(22)25)34-27(31)21-11-9-19(10-12-21)17-29-28(32)33-18-20-7-4-3-5-8-20/h3-5,7-8,13-16,19,21H,2,6,9-12,17-18H2,1H3,(H,29,32)