3,3-bis(1-butyl-2,6-dimethyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis(1-butyl-2,6-dimethyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(1-butyl-2,6-dimethyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(1-butyl-2,6-dimethyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(1-butyl-2,6-dimethylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(1-butyl-2,6-dimethyl-indol-3-yl)phthalide Formula: C36H40N2O2 MolecularWeight: 532.715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=C(C=C2)C)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=C5C=CC(=C6)C)CCCC)C)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=C(C=C2)C)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=C5C=CC(=C6)C)CCCC)C)C

InChI

InChI=1S/C36H40N2O2/c1-7-9-19-37-25(5)33(28-17-15-23(3)21-31(28)37)36(30-14-12-11-13-27(30)35(39)40-36)34-26(6)38(20-10-8-2)32-22-24(4)16-18-29(32)34/h11-18,21-22H,7-10,19-20H2,1-6H3