4-[[2-cyclohexylethyl(pentan-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[2-cyclohexylethyl(pentan-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[2-cyclohexylethyl(1-methylbutyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[2-cyclohexylethyl(pentan-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[2-cyclohexylethyl(pentan-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[2-cyclohexylethyl(1-methylbutyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCC(C)N(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C28H39NO2/c1-4-10-22(3)29(18-17-23-12-6-5-7-13-23)20-24-15-16-26(28(30)31)27(19-24)25-14-9-8-11-21(25)2/h8-9,11,14-16,19,22-23H,4-7,10,12-13,17-18,20H2,1-3H3,(H,30,31)