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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2(CCN(CC2C(=O)O)CCC=C)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C2(CCN(CC2C(=O)O)CCC=C)C3=C(C=CS3)C

InChI

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