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

Systemtic Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(3-ethyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(1-ethyl-2-pyrrolyl)-4-(3-ethyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(3-ethyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3CC

Isomeric SMILES

CCC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CN3CC

InChI

InChI=1S/C22H30N2O2S/c1-3-17-11-15-27-21(17)19(20-10-7-14-24(20)4-2)9-6-13-23-12-5-8-18(16-23)22(25)26/h7,9-11,14-15,18H,3-6,8,12-13,16H2,1-2H3,(H,25,26)/b19-9-