4-[[(2-cyclohexyl-2-methyl-propyl)-methyl-amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[(2-cyclohexyl-2-methyl-propyl)-methyl-amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[(2-cyclohexyl-2-methyl-propyl)-methyl-amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[(2-cyclohexyl-2-methylpropyl)-methylamino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[(2-cyclohexyl-2-methylpropyl)-methylamino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[(2-cyclohexyl-2-methyl-propyl)-methyl-amino]methyl]-2-(o-tolyl)benzoic acid Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CC(C)(C)C3CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CC(C)(C)C3CCCCC3)C(=O)O

InChI

InChI=1S/C26H35NO2/c1-19-10-8-9-13-22(19)24-16-20(14-15-23(24)25(28)29)17-27(4)18-26(2,3)21-11-6-5-7-12-21/h8-10,13-16,21H,5-7,11-12,17-18H2,1-4H3,(H,28,29)