ethyl (E)-7-[4-(6-oxidanylidenehexoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-(6-oxidanylidenehexoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(6-oxohexoxy)phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-(6-oxohexoxy)phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-(6-oxohexoxy)phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-(6-ketohexoxy)phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCCCCC=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCCCCC=O)/C2=CN=CC=C2

InChI

InChI=1S/C26H33NO4/c1-2-30-26(29)13-7-5-6-12-25(23-11-10-18-27-21-23)22-14-16-24(17-15-22)31-20-9-4-3-8-19-28/h10-12,14-19,21H,2-9,13,20H2,1H3/b25-12+