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

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-4-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 (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H23ClN2O6 MolecularWeight: 530.95572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H23ClN2O6/c1-17-11-27(33)37-25-14-26(22(30)13-21(17)25)38-28(34)24(12-19-15-31-23-10-6-5-9-20(19)23)32-29(35)36-16-18-7-3-2-4-8-18/h2-11,13-15,24,31H,12,16H2,1H3,(H,32,35)