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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

InChI

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