3-phenylmethoxypropyl (E)-7-pyridin-3-ylhept-6-eneperoxoate

Systemtic Name: 3-phenylmethoxypropyl (E)-7-pyridin-3-ylhept-6-eneperoxoate Openeye Name: 3-benzyloxypropyl (E)-7-(3-pyridyl)hept-6-eneperoxoate CAS Name: (E)-7-(3-pyridinyl)-6-hepteneperoxoic acid 3-phenylmethoxypropyl ester IUPAC Name: 3-phenylmethoxypropyl (E)-7-pyridin-3-ylhept-6-eneperoxoate Traditional Name: (E)-7-(3-pyridyl)hept-6-eneperoxoic acid 3-benzoxypropyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCOOC(=O)CCCCC=CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COCCCOOC(=O)CCCC/C=C/C2=CN=CC=C2

InChI

InChI=1S/C22H27NO4/c24-22(14-7-2-1-4-10-20-13-8-15-23-18-20)27-26-17-9-16-25-19-21-11-5-3-6-12-21/h3-6,8,10-13,15,18H,1-2,7,9,14,16-17,19H2/b10-4+