3-methyl-5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-methyl-5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 3-methyl-5-(2-methylanilino)-5-oxo-pentanoic acid CAS Name: 3-methyl-5-(2-methylanilino)-5-oxopentanoic acid IUPAC Name: 3-methyl-5-(2-methylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-3-methyl-5-(o-toluidino)valeric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC(C)CC(=O)O

InChI

InChI=1S/C13H17NO3/c1-9(8-13(16)17)7-12(15)14-11-6-4-3-5-10(11)2/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)