(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3,4,7-trimethyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (3,4,7-trimethyl-2-oxochromen-5-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (2-keto-3,4,7-trimethyl-chromen-5-yl) ester Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

InChI

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