2-[(4-bromophenyl)methyl]-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxo-butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid Traditional Name: 2-(4-bromobenzyl)-4-keto-4-(p-anisidino)butyric acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-24-16-8-6-15(7-9-16)20-17(21)11-13(18(22)23)10-12-2-4-14(19)5-3-12/h2-9,13H,10-11H2,1H3,(H,20,21)(H,22,23)