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

Systemtic Name: methyl 5-[[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(3-hydroxy-3-methyl-1-oxopentyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H28N2O5 MolecularWeight: 352.42532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-4-18(2,23)12-16(21)20-9-5-8-19(10-11-20)13-14-6-7-15(25-14)17(22)24-3/h6-7,23H,4-5,8-13H2,1-3H3