2-[5-(4-cyanophenyl)carbonyl-4-methoxy-1-methyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-cyanophenyl)carbonyl-4-methoxy-1-methyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-cyanobenzoyl)-4-methoxy-1-methyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-cyanophenyl)-oxomethyl]-4-methoxy-1-methyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-cyanobenzoyl)-4-methoxy-1-methylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(4-cyanobenzoyl)-4-methoxy-1-methyl-pyrrol-2-yl]acetic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)C#N)OC)CC(=O)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)C#N)OC)CC(=O)O

InChI

InChI=1S/C16H14N2O4/c1-18-12(8-14(19)20)7-13(22-2)15(18)16(21)11-5-3-10(9-17)4-6-11/h3-7H,8H2,1-2H3,(H,19,20)