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

Systemtic Name: ethyl (E)-7-[4-(3-oxidanylidenepropoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(3-oxopropoxy)phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-(3-oxopropoxy)phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-(3-oxopropoxy)phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-(3-ketopropoxy)phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-2-27-23(26)10-5-3-4-9-22(20-8-6-15-24-18-20)19-11-13-21(14-12-19)28-17-7-16-25/h6,8-9,11-16,18H,2-5,7,10,17H2,1H3/b22-9+