1-[2-[2,2-bis(3-methylthiophen-2-yl)ethenoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2,2-bis(3-methylthiophen-2-yl)ethenoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2,2-bis(3-methyl-2-thienyl)vinyloxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2,2-bis(3-methyl-2-thiophenyl)ethenoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2,2-bis(3-methylthiophen-2-yl)ethenoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2,2-bis(3-methyl-2-thienyl)vinyloxy]ethyl]nipecotic acid Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=COCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=COCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)