methyl (5S)-5-acetyloxy-5-[6-[(E,3R)-3-oxidanylundec-1-enyl]pyridin-2-yl]pentanoate

Systemtic Name: methyl (5S)-5-acetyloxy-5-[6-[(E,3R)-3-oxidanylundec-1-enyl]pyridin-2-yl]pentanoate Openeye Name: methyl (5S)-5-acetoxy-5-[6-[(E,3R)-3-hydroxyundec-1-enyl]-2-pyridyl]pentanoate CAS Name: (5S)-5-acetyloxy-5-[6-[(E,3R)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentanoic acid methyl ester IUPAC Name: methyl (5S)-5-acetyloxy-5-[6-[(E,3R)-3-hydroxyundec-1-enyl]pyridin-2-yl]pentanoate Traditional Name: (5S)-5-acetoxy-5-[6-[(E,3R)-3-hydroxyundec-1-enyl]-2-pyridyl]valeric acid methyl ester Formula: C24H37NO5 MolecularWeight: 419.55428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=NC(=CC=C1)C(CCCC(=O)OC)OC(=O)C)O

Isomeric SMILES

CCCCCCCC[C@H](/C=C/C1=NC(=CC=C1)[C@H](CCCC(=O)OC)OC(=O)C)O

InChI

InChI=1S/C24H37NO5/c1-4-5-6-7-8-9-13-21(27)18-17-20-12-10-14-22(25-20)23(30-19(2)26)15-11-16-24(28)29-3/h10,12,14,17-18,21,23,27H,4-9,11,13,15-16H2,1-3H3/b18-17+/t21-,23+/m1/s1