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

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester Formula: C35H28N2O7 MolecularWeight: 588.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C35H28N2O7/c1-22-33(43-25-12-6-3-7-13-25)32(38)28-17-16-26(19-31(28)42-22)44-34(39)30(18-24-20-36-29-15-9-8-14-27(24)29)37-35(40)41-21-23-10-4-2-5-11-23/h2-17,19-20,30,36H,18,21H2,1H3,(H,37,40)