3,3-dimethyl-5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-(4-methylanilino)-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-(4-methylanilino)-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-(4-methylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(p-toluidino)valeric acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C14H19NO3/c1-10-4-6-11(7-5-10)15-12(16)8-14(2,3)9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)