[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H18BrFN2O3/c21-14-8-9-18(16(22)10-14)24-19(25)12-27-20(26)7-3-4-13-11-23-17-6-2-1-5-15(13)17/h1-2,5-6,8-11,23H,3-4,7,12H2,(H,24,25)