(3-methoxy-2-oxidanyl-phenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (3-methoxy-2-oxidanyl-phenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (2-hydroxy-3-methoxy-phenyl)methyl-(1-methyl-2-phenyl-ethyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (2-hydroxy-3-methoxyphenyl)methyl-(1-phenylpropan-2-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (2-hydroxy-3-methoxyphenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; (2-hydroxy-3-methoxy-benzyl)-(1-methyl-2-phenyl-ethyl)ammonium Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[NH2+]CC2=C(C(=CC=C2)OC)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)[NH2+]CC2=C(C(=CC=C2)OC)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H21NO2.C4H4O4/c1-13(11-14-7-4-3-5-8-14)18-12-15-9-6-10-16(20-2)17(15)19;5-3(6)1-2-4(7)8/h3-10,13,18-19H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-