methyl 8-azido-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: methyl 8-azido-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl 8-azido-2-methyl-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-azido-2-methyl-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl 8-azido-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-azido-2-methyl-4-[3-(3-pyridyl)propyl]caprylic acid methyl ester Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCCCN=[N+]=[N-])CCCC1=CN=CC=C1)C(=O)OC

Isomeric SMILES

CC(CC(CCCCN=[N+]=[N-])CCCC1=CN=CC=C1)C(=O)OC

InChI

InChI=1S/C18H28N4O2/c1-15(18(23)24-2)13-16(7-3-4-12-21-22-19)8-5-9-17-10-6-11-20-14-17/h6,10-11,14-16H,3-5,7-9,12-13H2,1-2H3