methyl 8-azido-4-(3-pyridin-3-ylphenyl)octanoate

Systemtic Name: methyl 8-azido-4-(3-pyridin-3-ylphenyl)octanoate Openeye Name: methyl 8-azido-4-[3-(3-pyridyl)phenyl]octanoate CAS Name: 8-azido-4-[3-(3-pyridinyl)phenyl]octanoic acid methyl ester IUPAC Name: methyl 8-azido-4-(3-pyridin-3-ylphenyl)octanoate Traditional Name: 8-azido-4-[3-(3-pyridyl)phenyl]caprylic acid methyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCCCN=[N+]=[N-])C1=CC=CC(=C1)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCC(CCCCN=[N+]=[N-])C1=CC=CC(=C1)C2=CN=CC=C2

InChI

InChI=1S/C20H24N4O2/c1-26-20(25)11-10-16(6-2-3-13-23-24-21)17-7-4-8-18(14-17)19-9-5-12-22-15-19/h4-5,7-9,12,14-16H,2-3,6,10-11,13H2,1H3