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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)Br

InChI

InChI=1S/C20H19BrN2O3/c1-13-6-8-18(16(21)10-13)23-19(24)12-26-20(25)9-7-14-11-22-17-5-3-2-4-15(14)17/h2-6,8,10-11,22H,7,9,12H2,1H3,(H,23,24)