2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-(o-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-[(2-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(2-methylbenzyl)-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3C)C

Isomeric SMILES

CC1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C23H32N2O2/c1-15-9-11-20(12-10-15)24-13-21-17(3)25(18(4)22(21)23(26)27)14-19-8-6-5-7-16(19)2/h5-8,15,20,24H,9-14H2,1-4H3,(H,26,27)