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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNCC3=CC=CC=C3)C

InChI

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