4-[(4-methoxy-3-phenethyloxy-phenyl)methyl]heptan-4-ylazanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[(4-methoxy-3-phenethyloxy-phenyl)methyl]heptan-4-ylazanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; [1-[(4-methoxy-3-phenethyloxy-phenyl)methyl]-1-propyl-butyl]ammonium CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 4-[(4-methoxy-3-phenethyloxyphenyl)methyl]heptan-4-ylammonium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 4-[(4-methoxy-3-phenethyloxyphenyl)methyl]heptan-4-ylazanium Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; [1-(4-methoxy-3-phenethyloxy-benzyl)-1-propyl-butyl]ammonium Formula: C27H37NO6 MolecularWeight: 471.58578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2)[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC(CCC)(CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2)[NH3+].C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H33NO2.C4H4O4/c1-4-14-23(24,15-5-2)18-20-11-12-21(25-3)22(17-20)26-16-13-19-9-7-6-8-10-19;5-3(6)1-2-4(7)8/h6-12,17H,4-5,13-16,18,24H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+