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

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-butyl-7-methyl-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-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C33H32N2O6 MolecularWeight: 552.61698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H32N2O6/c1-3-4-12-23-18-30(36)40-28-15-21(2)16-29(31(23)28)41-32(37)27(17-24-19-34-26-14-9-8-13-25(24)26)35-33(38)39-20-22-10-6-5-7-11-22/h5-11,13-16,18-19,27,34H,3-4,12,17,20H2,1-2H3,(H,35,38)