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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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