3-oxidanylidene-1,1-bis[1-(phenylmethyl)-2,3-dihydroindol-5-yl]-2-benzofuran-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-1,1-bis[1-(phenylmethyl)-2,3-dihydroindol-5-yl]-2-benzofuran-4-carboxylic acid Openeye Name: 1,1-bis(1-benzylindolin-5-yl)-3-oxo-isobenzofuran-4-carboxylic acid CAS Name: 3-oxo-1,1-bis[1-(phenylmethyl)-2,3-dihydroindol-5-yl]-4-isobenzofurancarboxylic acid IUPAC Name: 1,1-bis(1-benzyl-2,3-dihydroindol-5-yl)-3-oxo-2-benzofuran-4-carboxylic acid Traditional Name: 1,1-bis(1-benzylindolin-5-yl)-3-keto-phthalan-4-carboxylic acid Formula: C39H32N2O4 MolecularWeight: 592.68238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C3(C4=CC=CC(=C4C(=O)O3)C(=O)O)C5=CC6=C(C=C5)N(CC6)CC7=CC=CC=C7)CC8=CC=CC=C8

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C3(C4=CC=CC(=C4C(=O)O3)C(=O)O)C5=CC6=C(C=C5)N(CC6)CC7=CC=CC=C7)CC8=CC=CC=C8

InChI

InChI=1S/C39H32N2O4/c42-37(43)32-12-7-13-33-36(32)38(44)45-39(33,30-14-16-34-28(22-30)18-20-40(34)24-26-8-3-1-4-9-26)31-15-17-35-29(23-31)19-21-41(35)25-27-10-5-2-6-11-27/h1-17,22-23H,18-21,24-25H2,(H,42,43)