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

Systemtic Name: (Z)-2-[4-(2-methyl-2-oxidanyl-but-3-ynyl)-5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]but-2-enedioate Openeye Name: (Z)-2-[4-(2-hydroxy-2-methyl-but-3-ynyl)-5-(1-methylpyrrolidin-2-yl)-3-pyridyl]but-2-enedioate CAS Name: (Z)-2-[4-(2-hydroxy-2-methylbut-3-ynyl)-5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]-2-butenedioate IUPAC Name: (Z)-2-[4-(2-hydroxy-2-methylbut-3-ynyl)-5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]but-2-enedioate Traditional Name: (Z)-2-[4-(2-hydroxy-2-methyl-but-3-ynyl)-5-(1-methylpyrrolidin-2-yl)-3-pyridyl]but-2-enedioate Formula: C19H20N2O5-2 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=NC=C1C(=CC(=O)[O-])C(=O)[O-])C2CCCN2C)(C#C)O

Isomeric SMILES

CC(CC1=C(C=NC=C1/C(=C/C(=O)[O-])/C(=O)[O-])C2CCCN2C)(C#C)O

InChI

InChI=1S/C19H22N2O5/c1-4-19(2,26)9-13-14(12(18(24)25)8-17(22)23)10-20-11-15(13)16-6-5-7-21(16)3/h1,8,10-11,16,26H,5-7,9H2,2-3H3,(H,22,23)(H,24,25)/p-2/b12-8-