[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)propanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)propanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(2-methoxyphenyl)propanoate CAS Name: 3-(2-methoxyphenyl)propanoic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate Traditional Name: 3-(2-methoxyphenyl)propionic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CC=CC=C2OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=CC=C2OC)Br

InChI

InChI=1S/C20H22BrNO4/c1-13-8-10-17(16(21)12-13)22-20(24)14(2)26-19(23)11-9-15-6-4-5-7-18(15)25-3/h4-8,10,12,14H,9,11H2,1-3H3,(H,22,24)/t14-/m0/s1