methyl 5-[[4-(8-oxidanylquinolin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(8-oxidanylquinolin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(8-hydroxy-2-quinolinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NC4=C(C=CC=C4O)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NC4=C(C=CC=C4O)C=C3

InChI

InChI=1S/C22H23N3O5/c1-29-22(28)19-9-7-16(30-19)14-24-10-3-11-25(13-12-24)21(27)17-8-6-15-4-2-5-18(26)20(15)23-17/h2,4-9,26H,3,10-14H2,1H3