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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC(=CS3)C

Isomeric SMILES

CC1=CSC(=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC(=CS3)C

InChI

InChI=1S/C20H25NO2S2/c1-14-9-18(24-12-14)17(19-10-15(2)13-25-19)6-4-8-21-7-3-5-16(11-21)20(22)23/h6,9-10,12-13,16H,3-5,7-8,11H2,1-2H3,(H,22,23)