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

Systemtic Name: 4,5-dimethyl-2-[2-[[(phenylmethyl)amino]methyl]pyrrol-1-yl]thiophene-3-carboxylic acid Openeye Name: 2-[2-[(benzylamino)methyl]pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[2-[[(phenylmethyl)amino]methyl]-1-pyrrolyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[2-[(benzylamino)methyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-[2-[(benzylamino)methyl]pyrrol-1-yl]-4,5-dimethyl-3-thenoic acid Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)N2C=CC=C2CNCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)N2C=CC=C2CNCC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O2S/c1-13-14(2)24-18(17(13)19(22)23)21-10-6-9-16(21)12-20-11-15-7-4-3-5-8-15/h3-10,20H,11-12H2,1-2H3,(H,22,23)