1-[3-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]prop-2-ynyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[3-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]prop-2-ynyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[3-[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]prop-2-ynyl]cyclohexanecarboxylic acid CAS Name: 1-[3-[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]prop-2-ynyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]prop-2-ynyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]prop-2-ynyl]cyclohexanecarboxylic acid Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C#CCC3(CCCCC3)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C#CCC3(CCCCC3)C(=O)O

InChI

InChI=1S/C20H26N2O2/c1-22-12-6-8-18(22)17-13-16(14-21-15-17)7-5-11-20(19(23)24)9-3-2-4-10-20/h13-15,18H,2-4,6,8-12H2,1H3,(H,23,24)