(2S)-4-[(2-bromanyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(2-bromanyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(2-bromo-4-methyl-anilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-(2-bromo-4-methylanilino)-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(2-bromo-4-methylanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(2-bromo-4-methyl-anilino)-4-keto-2-phenyl-butyrate Formula: C17H15BrNO3- MolecularWeight: 361.2099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3/c1-11-7-8-15(14(18)9-11)19-16(20)10-13(17(21)22)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1