3-(2,6-dimethylheptan-4-ylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2,6-dimethylheptan-4-ylamino)-4-methyl-benzoic acid Openeye Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-4-methyl-benzoic acid CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzoic acid IUPAC Name: 3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzoic acid Traditional Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-4-methyl-benzoic acid Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-11(2)8-15(9-12(3)4)18-16-10-14(17(19)20)7-6-13(16)5/h6-7,10-12,15,18H,8-9H2,1-5H3,(H,19,20)