3H-2-benzofuran-1-one; 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3H-2-benzofuran-1-one; 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one Openeye Name: 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)isobenzofuran-1-one; 3H-isobenzofuran-1-one CAS Name: 5-(dimethylamino)-3,3-bis(1,2-dimethyl-3-indolyl)-1-isobenzofuranone; 3H-isobenzofuran-1-one IUPAC Name: 3H-2-benzofuran-1-one; 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one Traditional Name: 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)phthalide; phthalide Formula: C38H35N3O4 MolecularWeight: 597.7022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C3(C4=C(C=CC(=C4)N(C)C)C(=O)O3)C5=C(N(C6=CC=CC=C65)C)C.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C3(C4=C(C=CC(=C4)N(C)C)C(=O)O3)C5=C(N(C6=CC=CC=C65)C)C.C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C30H29N3O2.C8H6O2/c1-18-27(22-11-7-9-13-25(22)32(18)5)30(28-19(2)33(6)26-14-10-8-12-23(26)28)24-17-20(31(3)4)15-16-21(24)29(34)35-30;9-8-7-4-2-1-3-6(7)5-10-8/h7-17H,1-6H3;1-4H,5H2