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

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-3,4-dimethyl-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-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-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-3,4-dimethyl-chromen-7-yl) ester Formula: C30H25ClN2O6 MolecularWeight: 544.9823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25ClN2O6/c1-17-18(2)28(34)38-26-14-27(23(31)13-22(17)26)39-29(35)25(12-20-15-32-24-11-7-6-10-21(20)24)33-30(36)37-16-19-8-4-3-5-9-19/h3-11,13-15,25,32H,12,16H2,1-2H3,(H,33,36)