2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoic acid CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)O

InChI

InChI=1S/C15H20N2O2/c1-10(2)5-6-17-11(3)7-13(12(17)4)8-14(9-16)15(18)19/h7-8,10H,5-6H2,1-4H3,(H,18,19)