(2S)-4-[(3-bromanyl-4-methyl-phenyl)amino]-2-[(4-chlorophenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(3-bromanyl-4-methyl-phenyl)amino]-2-[(4-chlorophenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(3-bromo-4-methyl-anilino)-2-[(4-chlorophenyl)methyl]-4-oxo-butanoate CAS Name: (2S)-4-(3-bromo-4-methylanilino)-2-[(4-chlorophenyl)methyl]-4-oxobutanoate IUPAC Name: (2S)-4-(3-bromo-4-methylanilino)-2-[(4-chlorophenyl)methyl]-4-oxobutanoate Traditional Name: (2S)-4-(3-bromo-4-methyl-anilino)-2-(4-chlorobenzyl)-4-keto-butyrate Formula: C18H16BrClNO3- MolecularWeight: 409.68154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(CC2=CC=C(C=C2)Cl)C(=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H](CC2=CC=C(C=C2)Cl)C(=O)[O-])Br

InChI

InChI=1S/C18H17BrClNO3/c1-11-2-7-15(10-16(11)19)21-17(22)9-13(18(23)24)8-12-3-5-14(20)6-4-12/h2-7,10,13H,8-9H2,1H3,(H,21,22)(H,23,24)/p-1/t13-/m0/s1