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

Systemtic Name: 1-[(Z)-4-(2,3-dimethoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(2,3-dimethoxyphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(2,3-dimethoxyphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(2,3-dimethoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(2,3-dimethoxyphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-16-11-14-29-22(16)19(18-8-4-10-20(27-2)21(18)28-3)9-6-13-24-12-5-7-17(15-24)23(25)26/h4,8-11,14,17H,5-7,12-13,15H2,1-3H3,(H,25,26)/b19-9-