2-[(4-ethoxyphenyl)-(phenylcarbonyl)amino]ethyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-[(4-ethoxyphenyl)-(phenylcarbonyl)amino]ethyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(N-benzoyl-4-ethoxy-anilino)ethyl-dimethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(N-benzoyl-4-ethoxyanilino)ethyl-dimethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(N-benzoyl-4-ethoxyanilino)ethyl-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(N-benzoyl-4-ethoxy-anilino)ethyl-dimethyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC[NH+](C)C)C(=O)C2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC[NH+](C)C)C(=O)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H24N2O2.C4H4O4/c1-4-23-18-12-10-17(11-13-18)21(15-14-20(2)3)19(22)16-8-6-5-7-9-16;5-3(6)1-2-4(7)8/h5-13H,4,14-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+