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

Systemtic Name: 1-[(Z)-4-(3-methylthiophen-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-methyl-2-thienyl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-methyl-2-thiophenyl)-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-methylthiophen-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-methyl-2-thienyl)-4-phenyl-but-3-enyl]nipecotic acid Formula: C21H25NO2S MolecularWeight: 355.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-16-11-14-25-20(16)19(17-7-3-2-4-8-17)10-6-13-22-12-5-9-18(15-22)21(23)24/h2-4,7-8,10-11,14,18H,5-6,9,12-13,15H2,1H3,(H,23,24)/b19-10-