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

Systemtic Name: methyl (4S)-8-oxidanyl-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl (4S)-8-hydroxy-4-[3-(3-pyridyl)propyl]octanoate CAS Name: (4S)-8-hydroxy-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl (4S)-8-hydroxy-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: (4S)-8-hydroxy-4-[3-(3-pyridyl)propyl]caprylic acid methyl ester Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCCCO)CCCC1=CN=CC=C1

Isomeric SMILES

COC(=O)CC[C@H](CCCCO)CCCC1=CN=CC=C1

InChI

InChI=1S/C17H27NO3/c1-21-17(20)11-10-15(6-2-3-13-19)7-4-8-16-9-5-12-18-14-16/h5,9,12,14-15,19H,2-4,6-8,10-11,13H2,1H3/t15-/m1/s1