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

Systemtic Name: 2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[(2-thiophen-2-ylethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-(o-tolylmethyl)-4-[[2-(2-thienyl)ethylamino]methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[(2-thiophen-2-ylethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[(2-thiophen-2-ylethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(2-methylbenzyl)-4-[[2-(2-thienyl)ethylamino]methyl]pyrrole-3-carboxylic acid Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNCCC3=CC=CS3)C

InChI

InChI=1S/C22H26N2O2S/c1-15-7-4-5-8-18(15)14-24-16(2)20(21(17(24)3)22(25)26)13-23-11-10-19-9-6-12-27-19/h4-9,12,23H,10-11,13-14H2,1-3H3,(H,25,26)