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

Systemtic Name: ethyl (E)-7-[3-[(4-methanoylphenyl)methoxy]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[3-[(4-formylphenyl)methoxy]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[3-[(4-formylphenyl)methoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[3-[(4-formylphenyl)methoxy]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[3-(4-formylbenzyl)oxyphenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC(=CC=C1)OCC2=CC=C(C=C2)C=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC(=CC=C1)OCC2=CC=C(C=C2)C=O)/C3=CN=CC=C3

InChI

InChI=1S/C28H29NO4/c1-2-32-28(31)12-5-3-4-11-27(25-9-7-17-29-19-25)24-8-6-10-26(18-24)33-21-23-15-13-22(20-30)14-16-23/h6-11,13-20H,2-5,12,21H2,1H3/b27-11+