ethyl (E)-2-(2-oxidanylideneethyl)-7-phenyl-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-2-(2-oxidanylideneethyl)-7-phenyl-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-2-(2-oxoethyl)-7-phenyl-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-2-(2-oxoethyl)-7-phenyl-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-oxoethyl)-7-phenyl-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-2-(2-ketoethyl)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC=C(C1=CC=CC=C1)C2=CN=CC=C2)CC=O

Isomeric SMILES

CCOC(=O)C(CCC/C=C(\C1=CC=CC=C1)/C2=CN=CC=C2)CC=O

InChI

InChI=1S/C22H25NO3/c1-2-26-22(25)19(14-16-24)11-6-7-13-21(18-9-4-3-5-10-18)20-12-8-15-23-17-20/h3-5,8-10,12-13,15-17,19H,2,6-7,11,14H2,1H3/b21-13+