3-[(4-bromophenyl)methyl]-4-[(2,6-dimethoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-4-[(2,6-dimethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-bromophenyl)methyl]-4-(2,6-dimethoxyanilino)-4-oxo-butanoic acid CAS Name: 3-[(4-bromophenyl)methyl]-4-(2,6-dimethoxyanilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-4-(2,6-dimethoxyanilino)-4-oxobutanoic acid Traditional Name: 3-(4-bromobenzyl)-4-(2,6-dimethoxyanilino)-4-keto-butyric acid Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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