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

Systemtic Name: 4,5-dimethyl-2-[2-[[(4-methylphenyl)methylamino]methyl]pyrrol-1-yl]thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-[2-[(p-tolylmethylamino)methyl]pyrrol-1-yl]thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[2-[[(4-methylphenyl)methylamino]methyl]-1-pyrrolyl]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-[2-[[(4-methylphenyl)methylamino]methyl]pyrrol-1-yl]thiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-[2-[[(4-methylbenzyl)amino]methyl]pyrrol-1-yl]-3-thenoic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC=CN2C3=C(C(=C(S3)C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC=CN2C3=C(C(=C(S3)C)C)C(=O)O

InChI

InChI=1S/C20H22N2O2S/c1-13-6-8-16(9-7-13)11-21-12-17-5-4-10-22(17)19-18(20(23)24)14(2)15(3)25-19/h4-10,21H,11-12H2,1-3H3,(H,23,24)