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

Systemtic Name: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-[[(4-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-(m-tolylmethyl)-4-[(p-tolylmethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-[[(4-methylphenyl)methylamino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-[[(4-methylphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(3-methylbenzyl)-4-[[(4-methylbenzyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C24H28N2O2 MolecularWeight: 376.49132

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2/c1-16-8-10-20(11-9-16)13-25-14-22-18(3)26(19(4)23(22)24(27)28)15-21-7-5-6-17(2)12-21/h5-12,25H,13-15H2,1-4H3,(H,27,28)