methyl 2-methyl-5-[[(2-oxidanylideneazepan-3-yl)amino]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[(2-oxidanylideneazepan-3-yl)amino]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[(2-oxoazepan-3-yl)amino]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(2-oxo-3-azepanyl)amino]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[(2-oxoazepan-3-yl)amino]methyl]furan-3-carboxylate Traditional Name: 5-[[(2-ketoazepan-3-yl)amino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CNC2CCCCNC2=O)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CNC2CCCCNC2=O)C(=O)OC

InChI

InChI=1S/C14H20N2O4/c1-9-11(14(18)19-2)7-10(20-9)8-16-12-5-3-4-6-15-13(12)17/h7,12,16H,3-6,8H2,1-2H3,(H,15,17)