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

Systemtic Name: 2-[5-(4-cyanophenyl)carbonyl-1-ethyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-cyanobenzoyl)-1-ethyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-cyanophenyl)-oxomethyl]-1-ethyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-cyanobenzoyl)-1-ethylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(4-cyanobenzoyl)-1-ethyl-pyrrol-2-yl]acetic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C(=O)C2=CC=C(C=C2)C#N)CC(=O)O

Isomeric SMILES

CCN1C(=CC=C1C(=O)C2=CC=C(C=C2)C#N)CC(=O)O

InChI

InChI=1S/C16H14N2O3/c1-2-18-13(9-15(19)20)7-8-14(18)16(21)12-5-3-11(10-17)4-6-12/h3-8H,2,9H2,1H3,(H,19,20)