1-[(E)-4-(1-methylpyrrol-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-4-(1-methylpyrrol-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(1-methylpyrrol-2-yl)-4-(2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(1-methyl-2-pyrrolyl)-4-thiophen-2-ylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(1-methylpyrrol-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(1-methylpyrrol-2-yl)-4-(2-thienyl)but-3-enyl]nipecotic acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CS3

Isomeric SMILES

CN1C=CC=C1/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CS3

InChI

InChI=1S/C19H24N2O2S/c1-20-10-4-8-17(20)16(18-9-5-13-24-18)7-3-12-21-11-2-6-15(14-21)19(22)23/h4-5,7-10,13,15H,2-3,6,11-12,14H2,1H3,(H,22,23)/b16-7+