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

Systemtic Name: 1-[(Z)-4-(3,4-dimethoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3,4-dimethoxyphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3,4-dimethoxyphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3,4-dimethoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3,4-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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-16-10-13-29-22(16)19(17-8-9-20(27-2)21(14-17)28-3)7-5-12-24-11-4-6-18(15-24)23(25)26/h7-10,13-14,18H,4-6,11-12,15H2,1-3H3,(H,25,26)/b19-7-