[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C37H32N2O6 MolecularWeight: 600.65978

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)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C37H32N2O6/c1-23-17-32-34(24(2)29(35(40)44-32)19-25-11-5-3-6-12-25)33(18-23)45-36(41)31(20-27-21-38-30-16-10-9-15-28(27)30)39-37(42)43-22-26-13-7-4-8-14-26/h3-18,21,31,38H,19-20,22H2,1-2H3,(H,39,42)