1-[(Z)-4-(furan-3-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(Z)-4-(furan-3-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-furyl)-4-(2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-furanyl)-4-thiophen-2-ylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(furan-3-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-furyl)-4-(2-thienyl)but-3-enyl]nipecotic acid Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C(C2=COC=C2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC/C=C(/C2=COC=C2)\C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H21NO3S/c20-18(21)14-4-1-8-19(12-14)9-2-5-16(15-7-10-22-13-15)17-6-3-11-23-17/h3,5-7,10-11,13-14H,1-2,4,8-9,12H2,(H,20,21)/b16-5-