ethyl 2,2-dimethyl-7-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]heptanoate

Systemtic Name: ethyl 2,2-dimethyl-7-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]heptanoate Openeye Name: ethyl 7-[4-[hydroxy(3-pyridyl)methyl]phenyl]-2,2-dimethyl-heptanoate CAS Name: 7-[4-[hydroxy(3-pyridinyl)methyl]phenyl]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]-2,2-dimethylheptanoate Traditional Name: 7-[4-[hydroxy(3-pyridyl)methyl]phenyl]-2,2-dimethyl-enanthic acid ethyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCC1=CC=C(C=C1)C(C2=CN=CC=C2)O

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCC1=CC=C(C=C1)C(C2=CN=CC=C2)O

InChI

InChI=1S/C23H31NO3/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/h8,10-14,16-17,21,25H,4-7,9,15H2,1-3H3