methyl 5-[[4-(9-oxidanylidenefluoren-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(9-oxidanylidenefluoren-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(9-oxofluorene-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-(9-oxo-4-fluorenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(9-oxofluorene-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(9-ketofluorene-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H24N2O5/c1-32-26(31)22-11-10-17(33-22)16-27-12-5-13-28(15-14-27)25(30)21-9-4-8-20-23(21)18-6-2-3-7-19(18)24(20)29/h2-4,6-11H,5,12-16H2,1H3