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

Systemtic Name: 5-[(2-methylphenyl)amino]-2-(2-methylpropyl)-5-oxidanylidene-pentanoic acid Openeye Name: 2-isobutyl-5-(2-methylanilino)-5-oxo-pentanoic acid CAS Name: 5-(2-methylanilino)-2-(2-methylpropyl)-5-oxopentanoic acid IUPAC Name: 5-(2-methylanilino)-2-(2-methylpropyl)-5-oxopentanoic acid Traditional Name: 2-isobutyl-5-keto-5-(o-toluidino)valeric acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-11(2)10-13(16(19)20)8-9-15(18)17-14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H,17,18)(H,19,20)