ethyl 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate

Systemtic Name: ethyl 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate Openeye Name: ethyl 8-[(5,6-diphenyl-2-pyridyl)oxy]octanoate CAS Name: 8-[(5,6-diphenyl-2-pyridinyl)oxy]octanoic acid ethyl ester IUPAC Name: ethyl 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate Traditional Name: 8-[(5,6-diphenyl-2-pyridyl)oxy]caprylic acid ethyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCOC1=NC(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCCOC1=NC(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO3/c1-2-30-26(29)18-12-4-3-5-13-21-31-25-20-19-24(22-14-8-6-9-15-22)27(28-25)23-16-10-7-11-17-23/h6-11,14-17,19-20H,2-5,12-13,18,21H2,1H3