4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid Openeye Name: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid CAS Name: 4-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid Traditional Name: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]nicotinic acid Formula: C19H21NO2 MolecularWeight: 295.37554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC2=C(C=NC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C19H21NO2/c1-14-7-6-11-19(2,3)17(14)9-5-4-8-15-10-12-20-13-16(15)18(21)22/h5,9-10,12-13H,6-7,11H2,1-3H3,(H,21,22)/b9-5+