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

Systemtic Name: 3,3-bis(2-methyl-1-pentyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(2-methyl-1-pentyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(2-methyl-1-pentyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(2-methyl-1-pentylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(1-amyl-2-methyl-indol-3-yl)phthalide Formula: C36H40N2O2 MolecularWeight: 532.715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCC)C)C

Isomeric SMILES

CCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCC)C)C

InChI

InChI=1S/C36H40N2O2/c1-5-7-15-23-37-25(3)33(28-18-10-13-21-31(28)37)36(30-20-12-9-17-27(30)35(39)40-36)34-26(4)38(24-16-8-6-2)32-22-14-11-19-29(32)34/h9-14,17-22H,5-8,15-16,23-24H2,1-4H3