(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (7-methyl-2-oxo-4-propyl-chromen-5-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propylchromen-5-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (2-keto-7-methyl-4-propyl-chromen-5-yl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-3-8-19-15-23(28)32-21-14-17(2)13-20(24(19)21)31-22(27)11-7-12-26-25(29)30-16-18-9-5-4-6-10-18/h4-6,9-10,13-15H,3,7-8,11-12,16H2,1-2H3,(H,26,29)