5-methyl-2-[4-[(2-methylphenyl)amino]-4-oxidanylidene-butan-2-yl]hexanoic acid

Systemtic Name: 5-methyl-2-[4-[(2-methylphenyl)amino]-4-oxidanylidene-butan-2-yl]hexanoic acid Openeye Name: 5-methyl-2-[1-methyl-3-(2-methylanilino)-3-oxo-propyl]hexanoic acid CAS Name: 5-methyl-2-[4-(2-methylanilino)-4-oxobutan-2-yl]hexanoic acid IUPAC Name: 5-methyl-2-[4-(2-methylanilino)-4-oxobutan-2-yl]hexanoic acid Traditional Name: 2-[3-keto-1-methyl-3-(o-toluidino)propyl]-5-methyl-hexanoic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-12(2)9-10-15(18(21)22)14(4)11-17(20)19-16-8-6-5-7-13(16)3/h5-8,12,14-15H,9-11H2,1-4H3,(H,19,20)(H,21,22)