[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate CAS Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate Traditional Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propionic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C27H25FN2O5 MolecularWeight: 476.496203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H25FN2O5/c1-33-19-9-12-23(24(15-19)34-2)29-25(31)16-35-26(32)13-10-20-21-14-18(28)8-11-22(21)30-27(20)17-6-4-3-5-7-17/h3-9,11-12,14-15,30H,10,13,16H2,1-2H3,(H,29,31)