(1S,6R)-6-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C17H21N3O3/c21-16(13-5-1-2-6-14(13)17(22)23)20-11-9-19(10-12-20)15-7-3-4-8-18-15/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23)/t13-,14+/m1/s1