N-[3-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbonylamino]-2-oxidanyl-propyl]benzo[b][1]benzazepine-11-carboxamide

Systemtic Name: N-[3-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbonylamino]-2-oxidanyl-propyl]benzo[b][1]benzazepine-11-carboxamide Openeye Name: N-[3-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-hydroxy-propyl]benzo[b][1]benzazepine-11-carboxamide CAS Name: N-[3-[[(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-oxomethyl]amino]-2-hydroxypropyl]-11-benzo[b][1]benzazepinecarboxamide IUPAC Name: N-[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-hydroxypropyl]benzo[b][1]benzazepine-11-carboxamide Traditional Name: N-[3-[(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-carbonyl)amino]-2-hydroxy-propyl]benzo[b][1]benzazepine-11-carboxamide Formula: C39H29N3O8 MolecularWeight: 667.66286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NCC(CNC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NCC(CNC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)O

InChI

InChI=1S/C39H29N3O8/c43-25-12-15-30-34(18-25)49-35-19-26(44)13-16-31(35)39(30)29-14-11-24(17-28(29)37(47)50-39)36(46)40-20-27(45)21-41-38(48)42-32-7-3-1-5-22(32)9-10-23-6-2-4-8-33(23)42/h1-19,27,43-45H,20-21H2,(H,40,46)(H,41,48)