1-[(Z)-4-(4-chloranyl-2-methyl-phenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(Z)-4-(4-chloranyl-2-methyl-phenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(4-chloro-2-methyl-phenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(4-chloro-2-methylphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(4-chloro-2-methylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(4-chloro-2-methyl-phenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C22H26ClNO2S MolecularWeight: 403.96534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H26ClNO2S/c1-15-9-12-27-21(15)20(19-8-7-18(23)13-16(19)2)6-4-11-24-10-3-5-17(14-24)22(25)26/h6-9,12-13,17H,3-5,10-11,14H2,1-2H3,(H,25,26)/b20-6-