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

Systemtic Name: methyl 2-methyl-8-oxidanyl-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl 8-hydroxy-2-methyl-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-hydroxy-2-methyl-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl 8-hydroxy-2-methyl-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-hydroxy-2-methyl-4-[3-(3-pyridyl)propyl]caprylic acid methyl ester Formula: C18H29NO3 MolecularWeight: 307.42776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCCCO)CCCC1=CN=CC=C1)C(=O)OC

Isomeric SMILES

CC(CC(CCCCO)CCCC1=CN=CC=C1)C(=O)OC

InChI

InChI=1S/C18H29NO3/c1-15(18(21)22-2)13-16(7-3-4-12-20)8-5-9-17-10-6-11-19-14-17/h6,10-11,14-16,20H,3-5,7-9,12-13H2,1-2H3