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

Systemtic Name: 4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-1-(p-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[[(4-ethylbenzyl)amino]methyl]-2,5-dimethyl-1-(4-methylbenzyl)pyrrole-3-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H30N2O2/c1-5-20-10-12-21(13-11-20)14-26-15-23-18(3)27(19(4)24(23)25(28)29)16-22-8-6-17(2)7-9-22/h6-13,26H,5,14-16H2,1-4H3,(H,28,29)