[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate Openeye Name: [2-(2,6-dimethylanilino)-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-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-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-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C27H25FN2O3 MolecularWeight: 444.497403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H25FN2O3/c1-17-7-6-8-18(2)26(17)30-24(31)16-33-25(32)14-12-21-22-15-20(28)11-13-23(22)29-27(21)19-9-4-3-5-10-19/h3-11,13,15,29H,12,14,16H2,1-2H3,(H,30,31)