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

Systemtic Name: 1-[(Z)-4-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-methoxyphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-methoxyphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-methoxyphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-16-10-13-27-21(16)20(17-6-3-8-19(14-17)26-2)9-5-12-23-11-4-7-18(15-23)22(24)25/h3,6,8-10,13-14,18H,4-5,7,11-12,15H2,1-2H3,(H,24,25)/b20-9-