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

Systemtic Name: ethyl (E)-7-[4-[2-(2-methanoylphenoxy)ethoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-[2-(2-formylphenoxy)ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[2-(2-formylphenoxy)ethoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[2-(2-formylphenoxy)ethoxy]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-[2-(2-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=C2C=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCOC2=CC=CC=C2C=O)/C3=CN=CC=C3

InChI

InChI=1S/C29H31NO5/c1-2-33-29(32)13-5-3-4-11-27(24-10-8-18-30-21-24)23-14-16-26(17-15-23)34-19-20-35-28-12-7-6-9-25(28)22-31/h6-12,14-18,21-22H,2-5,13,19-20H2,1H3/b27-11+