1-[4,4-bis(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4,4-bis(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[4,4-bis(3-ethyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[4,4-bis(3-ethyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[4,4-bis(3-ethyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C22H29NO2S2 MolecularWeight: 403.60116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)CC

Isomeric SMILES

CCC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)CC

InChI

InChI=1S/C22H29NO2S2/c1-3-16-9-13-26-20(16)19(21-17(4-2)10-14-27-21)8-6-12-23-11-5-7-18(15-23)22(24)25/h8-10,13-14,18H,3-7,11-12,15H2,1-2H3,(H,24,25)