ethyl 8-oxidanylidene-8-(4-pyridin-3-ylphenyl)octanoate

Systemtic Name: ethyl 8-oxidanylidene-8-(4-pyridin-3-ylphenyl)octanoate Openeye Name: ethyl 8-oxo-8-[4-(3-pyridyl)phenyl]octanoate CAS Name: 8-oxo-8-[4-(3-pyridinyl)phenyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate Traditional Name: 8-keto-8-[4-(3-pyridyl)phenyl]caprylic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-2-25-21(24)10-6-4-3-5-9-20(23)18-13-11-17(12-14-18)19-8-7-15-22-16-19/h7-8,11-16H,2-6,9-10H2,1H3