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

Systemtic Name: 1-[(E)-4-(3-chloranylthiophen-2-yl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-chloro-2-thienyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(3-chloro-2-thiophenyl)-4-(1-methyl-2-pyrrolyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(3-chlorothiophen-2-yl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-chloro-2-thienyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]nipecotic acid Formula: C19H23ClN2O2S MolecularWeight: 378.91612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O2S/c1-21-9-4-7-17(21)15(18-16(20)8-12-25-18)6-3-11-22-10-2-5-14(13-22)19(23)24/h4,6-9,12,14H,2-3,5,10-11,13H2,1H3,(H,23,24)/b15-6+