ethyl (E)-7-[4-[2-(4-methanoylphenoxy)ethoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-[2-(4-methanoylphenoxy)ethoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-[2-(4-formylphenoxy)ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[2-(4-formylphenoxy)ethoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[2-(4-formylphenoxy)ethoxy]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-[2-(4-formylphenoxy)ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=O)/C3=CN=CC=C3

InChI

InChI=1S/C29H31NO5/c1-2-33-29(32)9-5-3-4-8-28(25-7-6-18-30-21-25)24-12-16-27(17-13-24)35-20-19-34-26-14-10-23(22-31)11-15-26/h6-8,10-18,21-22H,2-5,9,19-20H2,1H3/b28-8+