dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonyl-cyclopropyl]methyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonyl-cyclopropyl]methyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonyl-cyclopropyl]methyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[[(1S,2R)-2-[oxo(propoxy)methyl]-2-phenylcyclopropyl]methyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonylcyclopropyl]methyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonyl-cyclopropyl]methyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2.C4H4O4/c1-4-10-19-15(18)16(11-14(16)12-17(2)3)13-8-6-5-7-9-13;5-3(6)1-2-4(7)8/h5-9,14H,4,10-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,16+;/m1./s1