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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c20-18(21)14-3-1-7-19(11-14)8-2-4-17(15-5-9-22-12-15)16-6-10-23-13-16/h4-6,9-10,12-14H,1-3,7-8,11H2,(H,20,21)/b17-4+