3-[(4-bromophenyl)methyl]-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-bromophenyl)methyl]-4-(4-ethoxyanilino)-4-oxo-butanoic acid CAS Name: 3-[(4-bromophenyl)methyl]-4-(4-ethoxyanilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-4-(4-ethoxyanilino)-4-oxobutanoic acid Traditional Name: 3-(4-bromobenzyl)-4-keto-4-(p-phenetidino)butyric acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O

InChI

InChI=1S/C19H20BrNO4/c1-2-25-17-9-7-16(8-10-17)21-19(24)14(12-18(22)23)11-13-3-5-15(20)6-4-13/h3-10,14H,2,11-12H2,1H3,(H,21,24)(H,22,23)