N-[(2S)-13-(4-methyl-5-pentyl-furan-2-yl)-1-oxidanyl-3-oxidanylidene-tridecan-2-yl]ethanamide

Systemtic Name: N-[(2S)-13-(4-methyl-5-pentyl-furan-2-yl)-1-oxidanyl-3-oxidanylidene-tridecan-2-yl]ethanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-12-(4-methyl-5-pentyl-2-furyl)-2-oxo-dodecyl]acetamide CAS Name: N-[(2S)-1-hydroxy-13-(4-methyl-5-pentyl-2-furanyl)-3-oxotridecan-2-yl]acetamide IUPAC Name: N-[(2S)-1-hydroxy-13-(4-methyl-5-pentylfuran-2-yl)-3-oxotridecan-2-yl]acetamide Traditional Name: N-[(1S)-12-(5-amyl-4-methyl-2-furyl)-2-keto-1-methylol-dodecyl]acetamide Formula: C25H43NO4 MolecularWeight: 421.61322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(O1)CCCCCCCCCCC(=O)C(CO)NC(=O)C)C

Isomeric SMILES

CCCCCC1=C(C=C(O1)CCCCCCCCCCC(=O)[C@H](CO)NC(=O)C)C

InChI

InChI=1S/C25H43NO4/c1-4-5-12-17-25-20(2)18-22(30-25)15-13-10-8-6-7-9-11-14-16-24(29)23(19-27)26-21(3)28/h18,23,27H,4-17,19H2,1-3H3,(H,26,28)/t23-/m0/s1