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

Systemtic Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-tetradecyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-tetradecyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-(1-butyl-2-methyl-3-indolyl)-3-(2-methyl-1-tetradecyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-(1-butyl-2-methylindol-3-yl)-3-(2-methyl-1-tetradecylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-myristyl-indol-3-yl)phthalide Formula: C44H56N2O2 MolecularWeight: 644.92764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCN1C(=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/C44H56N2O2/c1-5-7-9-10-11-12-13-14-15-16-17-24-32-46-34(4)42(37-27-20-23-30-40(37)46)44(38-28-21-18-25-35(38)43(47)48-44)41-33(3)45(31-8-6-2)39-29-22-19-26-36(39)41/h18-23,25-30H,5-17,24,31-32H2,1-4H3