3,3-bis(2-methyl-1-octyl-indol-3-yl)-1H-2-benzofuran-1-ol

Systemtic Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-1H-2-benzofuran-1-ol Openeye Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-1H-isobenzofuran-1-ol CAS Name: 3,3-bis(2-methyl-1-octyl-3-indolyl)-1H-isobenzofuran-1-ol IUPAC Name: 3,3-bis(2-methyl-1-octylindol-3-yl)-1H-2-benzofuran-1-ol Traditional Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)phthalan-1-ol Formula: C42H54N2O2 MolecularWeight: 618.89036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(O3)O)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(O3)O)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

InChI

InChI=1S/C42H54N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28,41,45H,5-14,21-22,29-30H2,1-4H3