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

Systemtic Name: 2-[2-[[(4-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-[2-[[(4-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[2-[[(4-methoxyphenyl)methylamino]methyl]-1-pyrrolyl]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[2-[[(4-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-[2-[(p-anisylamino)methyl]pyrrol-1-yl]-3-thenoic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-13-14(2)26-19(18(13)20(23)24)22-10-4-5-16(22)12-21-11-15-6-8-17(25-3)9-7-15/h4-10,21H,11-12H2,1-3H3,(H,23,24)