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

Systemtic Name: (2S)-4-[(3-bromanyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: (2S)-2-benzyl-4-(3-bromo-4-methyl-anilino)-4-oxo-butanoate CAS Name: (2S)-4-(3-bromo-4-methylanilino)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: (2S)-2-benzyl-4-(3-bromo-4-methylanilino)-4-oxobutanoate Traditional Name: (2S)-2-benzyl-4-(3-bromo-4-methyl-anilino)-4-keto-butyrate Formula: C18H17BrNO3- MolecularWeight: 375.23648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3/c1-12-7-8-15(11-16(12)19)20-17(21)10-14(18(22)23)9-13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,20,21)(H,22,23)/p-1/t14-/m0/s1