3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(1-butyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)phthalide Formula: C34H36N2O2 MolecularWeight: 504.66184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C

InChI

InChI=1S/C34H36N2O2/c1-5-7-21-35-23(3)31(26-16-10-13-19-29(26)35)34(28-18-12-9-15-25(28)33(37)38-34)32-24(4)36(22-8-6-2)30-20-14-11-17-27(30)32/h9-20H,5-8,21-22H2,1-4H3