ethyl (E)-7-[4-(5,5-dimethyl-6-oxidanylidene-hexoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-(5,5-dimethyl-6-oxidanylidene-hexoxy)phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(5,5-dimethyl-6-oxo-hexoxy)phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-(5,5-dimethyl-6-oxohexoxy)phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-(5,5-dimethyl-6-oxohexoxy)phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-(6-keto-5,5-dimethyl-hexoxy)phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO4/c1-4-32-27(31)13-7-5-6-12-26(24-11-10-19-29-21-24)23-14-16-25(17-15-23)33-20-9-8-18-28(2,3)22-30/h10-12,14-17,19,21-22H,4-9,13,18,20H2,1-3H3/b26-12+