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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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