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

Systemtic Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(1-methyl-2-pyrrolyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3C

Isomeric SMILES

CC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CN3C

InChI

InChI=1S/C20H26N2O2S/c1-15-9-13-25-19(15)17(18-8-5-10-21(18)2)7-4-12-22-11-3-6-16(14-22)20(23)24/h5,7-10,13,16H,3-4,6,11-12,14H2,1-2H3,(H,23,24)/b17-7-