(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-ethyl-8-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-8-methyl-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-ethyl-2-keto-8-methyl-chromen-7-yl) ester Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6/c1-3-21-16-28(34)39-29-19(2)27(14-13-24(21)29)38-30(35)26(15-22-17-32-25-12-8-7-11-23(22)25)33-31(36)37-18-20-9-5-4-6-10-20/h4-14,16-17,26,32H,3,15,18H2,1-2H3,(H,33,36)