[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20BrNO3 MolecularWeight: 390.271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC(C)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C[C@H](C)C2=CC=CC=C2)Br

InChI

InChI=1S/C19H20BrNO3/c1-13(15-6-4-3-5-7-15)11-19(23)24-12-18(22)21-16-8-9-17(20)14(2)10-16/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m0/s1