[3-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-5-(1-phenylethoxy)phenyl] ethaneperoxoate

Systemtic Name: [3-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-5-(1-phenylethoxy)phenyl] ethaneperoxoate Openeye Name: [3-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]-5-(1-phenylethoxy)phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [3-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-5-(1-phenylethoxy)phenyl] ester IUPAC Name: [3-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-5-(1-phenylethoxy)phenyl] ethaneperoxoate Traditional Name: peracetic acid [3-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]-5-(1-phenylethoxy)phenyl] ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=CC(=CC(=C1)OOC(=O)C)OC(C)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=CC(=CC(=C1)OOC(=O)C)OC(C)C2=CC=CC=C2

InChI

InChI=1S/C24H29NO5/c1-6-25(7-2)24(27)13-17(3)21-14-22(16-23(15-21)30-29-19(5)26)28-18(4)20-11-9-8-10-12-20/h8-16,18H,6-7H2,1-5H3/b17-13+