methyl 4-[3-[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridyl]prop-2-ynyl]cyclohexanecarboxylate CAS Name: 4-[3-[5-(1-methyl-2-pyrrolidinyl)-2-pyridinyl]prop-2-ynyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate Traditional Name: 4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridyl]prop-2-ynyl]cyclohexanecarboxylic acid methyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=C(C=C2)C#CCC3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1CCCC1C2=CN=C(C=C2)C#CCC3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H28N2O2/c1-23-14-4-7-20(23)18-12-13-19(22-15-18)6-3-5-16-8-10-17(11-9-16)21(24)25-2/h12-13,15-17,20H,4-5,7-11,14H2,1-2H3