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

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-4-[(4-ethoxyphenyl)amino]-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-ethoxyanilino)-2-methyl-4-oxo-butanoic acid CAS Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-ethoxyanilino)-2-methyl-4-oxobutanoic acid IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]-4-(4-ethoxyanilino)-2-methyl-4-oxobutanoic acid Traditional Name: 3-(3,5-dimethylbenzyl)-4-keto-2-methyl-4-(p-phenetidino)butyric acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-5-27-19-8-6-18(7-9-19)23-21(24)20(16(4)22(25)26)13-17-11-14(2)10-15(3)12-17/h6-12,16,20H,5,13H2,1-4H3,(H,23,24)(H,25,26)