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

Systemtic Name: 1-[(E)-4,4-bis(3-methylthiophen-2-yl)but-1-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4,4-bis(3-methyl-2-thienyl)but-1-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4,4-bis(3-methyl-2-thiophenyl)but-1-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4,4-bis(3-methylthiophen-2-yl)but-1-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4,4-bis(3-methyl-2-thienyl)but-1-enyl]nipecotic acid Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(CC=CN2CCCC(C2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(C/C=C/N2CCCC(C2)C(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h4,7-8,10-12,16-17H,3,5-6,9,13H2,1-2H3,(H,22,23)/b10-4+