(3S)-3-[(4-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-[(4-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-[(4-bromophenyl)methyl]-4-(2,5-dimethoxyanilino)-4-oxo-butanoate CAS Name: (3S)-3-[(4-bromophenyl)methyl]-4-(2,5-dimethoxyanilino)-4-oxobutanoate IUPAC Name: (3S)-3-[(4-bromophenyl)methyl]-4-(2,5-dimethoxyanilino)-4-oxobutanoate Traditional Name: (3S)-3-(4-bromobenzyl)-4-(2,5-dimethoxyanilino)-4-keto-butyrate Formula: C19H19BrNO5- MolecularWeight: 421.26186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)[C@@H](CC2=CC=C(C=C2)Br)CC(=O)[O-]

InChI

InChI=1S/C19H20BrNO5/c1-25-15-7-8-17(26-2)16(11-15)21-19(24)13(10-18(22)23)9-12-3-5-14(20)6-4-12/h3-8,11,13H,9-10H2,1-2H3,(H,21,24)(H,22,23)/p-1/t13-/m0/s1