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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-3-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-4-keto-3-(3-methylbenzyl)butyric acid Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3/c1-12-5-3-6-14(9-12)10-15(11-18(22)23)19(24)21-17-8-4-7-16(20)13(17)2/h3-9,15H,10-11H2,1-2H3,(H,21,24)(H,22,23)