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

Systemtic Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H30N2O2/c1-15-9-11-19(12-10-15)23-13-20-16(2)24(17(3)21(20)22(25)26)14-18-7-5-4-6-8-18/h4-8,15,19,23H,9-14H2,1-3H3,(H,25,26)