ethyl (E)-2,2-dimethyl-7-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]hept-6-enoate

Systemtic Name: ethyl (E)-2,2-dimethyl-7-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]hept-6-enoate Openeye Name: ethyl (E)-7-[4-[hydroxy(3-pyridyl)methyl]phenyl]-2,2-dimethyl-hept-6-enoate CAS Name: (E)-7-[4-[hydroxy(3-pyridinyl)methyl]phenyl]-2,2-dimethyl-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]-2,2-dimethylhept-6-enoate Traditional Name: (E)-7-[4-[hydroxy(3-pyridyl)methyl]phenyl]-2,2-dimethyl-hept-6-enoic acid ethyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCC=CC1=CC=C(C=C1)C(C2=CN=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3/c1-4-27-22(26)23(2,3)15-7-5-6-9-18-11-13-19(14-12-18)21(25)20-10-8-16-24-17-20/h6,8-14,16-17,21,25H,4-5,7,15H2,1-3H3/b9-6+