(2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6/c1-2-8-21-16-29(34)39-28-17-23(13-14-25(21)28)38-30(35)27(15-22-18-32-26-12-7-6-11-24(22)26)33-31(36)37-19-20-9-4-3-5-10-20/h3-7,9-14,16-18,27,32H,2,8,15,19H2,1H3,(H,33,36)