2-(5-cyano-1-pentyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-1-pentyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(5-cyano-1-pentyl-pyrrol-2-yl)acetic acid CAS Name: 2-(5-cyano-1-pentyl-2-pyrrolyl)acetic acid IUPAC Name: 2-(5-cyano-1-pentylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-amyl-5-cyano-pyrrol-2-yl)acetic acid Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC=C1C#N)CC(=O)O

Isomeric SMILES

CCCCCN1C(=CC=C1C#N)CC(=O)O

InChI

InChI=1S/C12H16N2O2/c1-2-3-4-7-14-10(8-12(15)16)5-6-11(14)9-13/h5-6H,2-4,7-8H2,1H3,(H,15,16)