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

Systemtic Name: 5-methyl-2-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]hexanoic acid Openeye Name: 5-methyl-2-[3-(2-methylanilino)-3-oxo-propyl]hexanoic acid CAS Name: 5-methyl-2-[3-(2-methylanilino)-3-oxopropyl]hexanoic acid IUPAC Name: 5-methyl-2-[3-(2-methylanilino)-3-oxopropyl]hexanoic acid Traditional Name: 2-[3-keto-3-(o-toluidino)propyl]-5-methyl-hexanoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-12(2)8-9-14(17(20)21)10-11-16(19)18-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3,(H,18,19)(H,20,21)