ethyl (E)-7-(2-methyl-4-phenyl-pyridin-3-yl)-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: ethyl (E)-7-(2-methyl-4-phenyl-pyridin-3-yl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: ethyl (E)-3,5-dihydroxy-7-(2-methyl-4-phenyl-3-pyridyl)hept-6-enoate CAS Name: (E)-3,5-dihydroxy-7-(2-methyl-4-phenyl-3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3,5-dihydroxy-7-(2-methyl-4-phenylpyridin-3-yl)hept-6-enoate Traditional Name: (E)-3,5-dihydroxy-7-(2-methyl-4-phenyl-3-pyridyl)hept-6-enoic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C=CC1=C(C=CN=C1C)C2=CC=CC=C2)O)O

Isomeric SMILES

CCOC(=O)CC(CC(/C=C/C1=C(C=CN=C1C)C2=CC=CC=C2)O)O

InChI

InChI=1S/C21H25NO4/c1-3-26-21(25)14-18(24)13-17(23)9-10-19-15(2)22-12-11-20(19)16-7-5-4-6-8-16/h4-12,17-18,23-24H,3,13-14H2,1-2H3/b10-9+