4-[(3-chloranyl-2-methyl-phenyl)amino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-2-methyl-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-4-keto-2-methyl-3-(4-methylbenzyl)butyric acid Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(C)C(=O)O)C(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(C)C(=O)O)C(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C20H22ClNO3/c1-12-7-9-15(10-8-12)11-16(13(2)20(24)25)19(23)22-18-6-4-5-17(21)14(18)3/h4-10,13,16H,11H2,1-3H3,(H,22,23)(H,24,25)