1-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-pyrrol-1-ylthiophene-2-carbonyl)nipecotic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=CS2)N3C=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(C=CS2)N3C=CC=C3)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c18-14(17-8-3-4-11(10-17)15(19)20)13-12(5-9-21-13)16-6-1-2-7-16/h1-2,5-7,9,11H,3-4,8,10H2,(H,19,20)