13-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)tridec-12-ynyl 4-(diethylamino)butanoate

Systemtic Name: 13-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)tridec-12-ynyl 4-(diethylamino)butanoate Openeye Name: 13-(2-hydroxy-5-oxo-2H-furan-3-yl)tridec-12-ynyl 4-(diethylamino)butanoate CAS Name: 4-(diethylamino)butanoic acid 13-(2-hydroxy-5-oxo-2H-furan-3-yl)tridec-12-ynyl ester IUPAC Name: 13-(2-hydroxy-5-oxo-2H-furan-3-yl)tridec-12-ynyl 4-(diethylamino)butanoate Traditional Name: 4-(diethylamino)butyric acid 13-(2-hydroxy-5-keto-2H-furan-3-yl)tridec-12-ynyl ester Formula: C25H41NO5 MolecularWeight: 435.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(=O)OCCCCCCCCCCCC#CC1=CC(=O)OC1O

Isomeric SMILES

CCN(CC)CCCC(=O)OCCCCCCCCCCCC#CC1=CC(=O)OC1O

InChI

InChI=1S/C25H41NO5/c1-3-26(4-2)19-16-18-23(27)30-20-15-13-11-9-7-5-6-8-10-12-14-17-22-21-24(28)31-25(22)29/h21,25,29H,3-13,15-16,18-20H2,1-2H3