3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoic acid

Systemtic Name: 3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoic acid Openeye Name: 3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoic acid CAS Name: 3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid IUPAC Name: 3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoic acid Traditional Name: 3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)O)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)O)C

InChI

InChI=1S/C14H18N2O2/c1-4-5-6-16-10(2)7-12(11(16)3)8-13(9-15)14(17)18/h7-8H,4-6H2,1-3H3,(H,17,18)