1-[4,4-bis(5-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4,4-bis(5-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[4,4-bis(5-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[4,4-bis(5-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis(5-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[4,4-bis(5-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=C(S3)C

Isomeric SMILES

CC1=CC=C(S1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=C(S3)C

InChI

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