(E)-4-[[4-(2-dimethylaminoethyloxy)phenyl]methoxy]-4-oxidanylidene-but-2-enoate; hexanamide

Systemtic Name: (E)-4-[[4-(2-dimethylaminoethyloxy)phenyl]methoxy]-4-oxidanylidene-but-2-enoate; hexanamide Openeye Name: (E)-4-[[4-(2-dimethylaminoethyloxy)phenyl]methoxy]-4-oxo-but-2-enoate; hexanamide CAS Name: (E)-4-[[4-(2-dimethylaminoethyloxy)phenyl]methoxy]-4-oxo-2-butenoate; hexanamide IUPAC Name: (E)-4-[[4-(2-dimethylaminoethyloxy)phenyl]methoxy]-4-oxobut-2-enoate; hexanamide Traditional Name: (E)-4-[4-(2-dimethylaminoethyloxy)benzyl]oxy-4-keto-but-2-enoate; hexanamide Formula: C21H31N2O6- MolecularWeight: 407.48064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N.CN(C)CCOC1=CC=C(C=C1)COC(=O)C=CC(=O)[O-]

Isomeric SMILES

CCCCCC(=O)N.CN(C)CCOC1=CC=C(C=C1)COC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H19NO5.C6H13NO/c1-16(2)9-10-20-13-5-3-12(4-6-13)11-21-15(19)8-7-14(17)18;1-2-3-4-5-6(7)8/h3-8H,9-11H2,1-2H3,(H,17,18);2-5H2,1H3,(H2,7,8)/p-1/b8-7+;