[(1S,2R)-2-ethoxycarbonyl-2-phenyl-cyclopropyl]methyl-di(propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [(1S,2R)-2-ethoxycarbonyl-2-phenyl-cyclopropyl]methyl-di(propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [(1S,2R)-2-ethoxycarbonyl-2-phenyl-cyclopropyl]methyl-diisopropyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [(1S,2R)-2-carbethoxy-2-phenyl-cyclopropyl]methyl-diisopropyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C[NH+](C(C)C)C(C)C)C2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C(C)C)C(C)C)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H29NO2.C4H4O4/c1-6-22-18(21)19(16-10-8-7-9-11-16)12-17(19)13-20(14(2)3)15(4)5;5-3(6)1-2-4(7)8/h7-11,14-15,17H,6,12-13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,19+;/m1./s1