4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-(dimethylamino)-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-(dimethylamino)-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-(dimethylamino)-2-(o-tolyl)benzoic acid CAS Name: 4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-(dimethylamino)-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-(dimethylamino)-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-(dimethylamino)-2-(o-tolyl)benzoic acid Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)NCC2=C(C=C(C(=C2)C3=CC=CC=C3C)C(=O)O)N(C)C

Isomeric SMILES

CCC(CC1CCCCC1)NCC2=C(C=C(C(=C2)C3=CC=CC=C3C)C(=O)O)N(C)C

InChI

InChI=1S/C27H38N2O2/c1-5-22(15-20-12-7-6-8-13-20)28-18-21-16-24(23-14-10-9-11-19(23)2)25(27(30)31)17-26(21)29(3)4/h9-11,14,16-17,20,22,28H,5-8,12-13,15,18H2,1-4H3,(H,30,31)