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

Systemtic Name: ethyl (E)-7-[4-[2-(4-methanoylphenyl)ethoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-[2-(4-formylphenyl)ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[2-(4-formylphenyl)ethoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[2-(4-formylphenyl)ethoxy]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-[2-(4-formylphenyl)ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCCC2=CC=C(C=C2)C=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)OCCC2=CC=C(C=C2)C=O)/C3=CN=CC=C3

InChI

InChI=1S/C29H31NO4/c1-2-33-29(32)9-5-3-4-8-28(26-7-6-19-30-21-26)25-14-16-27(17-15-25)34-20-18-23-10-12-24(22-31)13-11-23/h6-8,10-17,19,21-22H,2-5,9,18,20H2,1H3/b28-8+