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

Systemtic Name: (3R)-1-[5,5-bis(3-methylthiophen-2-yl)pent-4-enyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[5,5-bis(3-methyl-2-thienyl)pent-4-enyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[5,5-bis(3-methyl-2-thiophenyl)pent-4-enyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[5,5-bis(3-methylthiophen-2-yl)pent-4-enyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[5,5-bis(3-methyl-2-thienyl)pent-4-enyl]nipecotic acid Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C21H27NO2S2/c1-15-8-12-25-19(15)18(20-16(2)9-13-26-20)7-3-4-10-22-11-5-6-17(14-22)21(23)24/h7-9,12-13,17H,3-6,10-11,14H2,1-2H3,(H,23,24)/t17-/m1/s1