2-[(3,5-dimethylphenyl)methyl]-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-4-(4-ethoxyanilino)-4-oxo-butanoic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]-4-(4-ethoxyanilino)-4-oxobutanoic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-4-(4-ethoxyanilino)-4-oxobutanoic acid Traditional Name: 2-(3,5-dimethylbenzyl)-4-keto-4-(p-phenetidino)butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-4-26-19-7-5-18(6-8-19)22-20(23)13-17(21(24)25)12-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3,(H,22,23)(H,24,25)