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

Systemtic Name: ethyl (E)-7-[4-(6-oxidanylhexoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(6-hydroxyhexoxy)phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-(6-hydroxyhexoxy)phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-(6-hydroxyhexoxy)phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-(6-hydroxyhexoxy)phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO4/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/h10-12,14-18,21,28H,2-9,13,19-20H2,1H3/b25-12+