4-[[cyclohexylmethyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[cyclohexylmethyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[cyclohexylmethyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[cyclohexylmethyl(3-pyridinyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[cyclohexylmethyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[cyclohexylmethyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3CCCCC3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3CCCCC3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N2O2/c1-20-8-5-6-12-24(20)26-16-22(13-14-25(26)27(30)31)19-29(23-11-7-15-28-17-23)18-21-9-3-2-4-10-21/h5-8,11-17,21H,2-4,9-10,18-19H2,1H3,(H,30,31)