(Z)-2-[5-(1-methylpyrrolidin-2-yl)-4-(2-oxidanylbut-3-ynyl)pyridin-3-yl]but-2-enedioate

Systemtic Name: (Z)-2-[5-(1-methylpyrrolidin-2-yl)-4-(2-oxidanylbut-3-ynyl)pyridin-3-yl]but-2-enedioate Openeye Name: (Z)-2-[4-(2-hydroxybut-3-ynyl)-5-(1-methylpyrrolidin-2-yl)-3-pyridyl]but-2-enedioate CAS Name: (Z)-2-[4-(2-hydroxybut-3-ynyl)-5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]-2-butenedioate IUPAC Name: (Z)-2-[4-(2-hydroxybut-3-ynyl)-5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]but-2-enedioate Traditional Name: (Z)-2-[4-(2-hydroxybut-3-ynyl)-5-(1-methylpyrrolidin-2-yl)-3-pyridyl]but-2-enedioate Formula: C18H18N2O5-2 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C(C(=CN=C2)C(=CC(=O)[O-])C(=O)[O-])CC(C#C)O

Isomeric SMILES

CN1CCCC1C2=C(C(=CN=C2)/C(=C/C(=O)[O-])/C(=O)[O-])CC(C#C)O

InChI

InChI=1S/C18H20N2O5/c1-3-11(21)7-12-14(13(18(24)25)8-17(22)23)9-19-10-15(12)16-5-4-6-20(16)2/h1,8-11,16,21H,4-7H2,2H3,(H,22,23)(H,24,25)/p-2/b13-8-