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

Systemtic Name: 2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoic acid Openeye Name: 2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoic acid CAS Name: 2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid IUPAC Name: 2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid Traditional Name: 2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-11-8-13(9-14(10-17)16(19)20)12(2)18(11)15-6-4-3-5-7-15/h8-9,15H,3-7H2,1-2H3,(H,19,20)