[5-[[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-(3-hydroxy-3-methyl-1-oxopentyl)-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C19H30N2O5 MolecularWeight: 366.4519

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=C(O2)COC(=O)C)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=C(O2)COC(=O)C)O

InChI

InChI=1S/C19H30N2O5/c1-4-19(3,24)12-18(23)21-9-5-8-20(10-11-21)13-16-6-7-17(26-16)14-25-15(2)22/h6-7,24H,4-5,8-14H2,1-3H3