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

Systemtic Name: (Z)-2-[5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridin-3-yl]but-2-enedioate Openeye Name: (Z)-2-[5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridin-3-yl]but-2-enedioate CAS Name: (Z)-2-[5-(1-methyl-2-pyrrolidinyl)-1-prop-1-ynyl-2H-pyridin-3-yl]-2-butenedioate IUPAC Name: (Z)-2-[5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridin-3-yl]but-2-enedioate Traditional Name: (Z)-2-[5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridin-3-yl]but-2-enedioate Formula: C17H18N2O4-2 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1CC(=CC(=C1)C2CCCN2C)C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC#CN1CC(=CC(=C1)C2CCCN2C)/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-3-6-19-10-12(14(17(22)23)9-16(20)21)8-13(11-19)15-5-4-7-18(15)2/h8-9,11,15H,4-5,7,10H2,1-2H3,(H,20,21)(H,22,23)/p-2/b14-9-