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

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H18BrFN2O3/c1-12(20(26)24-18-8-7-14(21)10-16(18)22)27-19(25)9-6-13-11-23-17-5-3-2-4-15(13)17/h2-5,7-8,10-12,23H,6,9H2,1H3,(H,24,26)