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

Systemtic Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-ethyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-ethyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-ethyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3CC

Isomeric SMILES

CCC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3CC

InChI

InChI=1S/C24H31NO2S/c1-3-18-9-5-6-11-21(18)22(23-19(4-2)13-16-28-23)12-8-15-25-14-7-10-20(17-25)24(26)27/h5-6,9,11-13,16,20H,3-4,7-8,10,14-15,17H2,1-2H3,(H,26,27)/b22-12-