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

Systemtic Name: 2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2,5-dimethyl-4-[(p-tolylmethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,5-dimethyl-4-[[(4-methylbenzyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O2/c1-16-9-11-19(12-10-16)13-24-14-21-17(2)25(18(3)22(21)23(26)27)15-20-7-5-4-6-8-20/h4-12,24H,13-15H2,1-3H3,(H,26,27)