4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H37NO2/c1-20-10-8-9-13-23(20)25-18-22(14-15-24(25)26(29)30)19-28(27(2,3)4)17-16-21-11-6-5-7-12-21/h8-10,13-15,18,21H,5-7,11-12,16-17,19H2,1-4H3,(H,29,30)