4-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)-3H-2-benzofuran-1-one

Systemtic Name: 4-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)-3H-2-benzofuran-1-one Openeye Name: 4-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)-3H-isobenzofuran-1-one CAS Name: 4-(1-butyl-2-methyl-3-indolyl)-3-(2-methyl-1-octyl-3-indolyl)-3H-isobenzofuran-1-one IUPAC Name: 4-(1-butyl-2-methylindol-3-yl)-3-(2-methyl-1-octylindol-3-yl)-3H-2-benzofuran-1-one Traditional Name: 4-(1-butyl-2-methyl-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C38H44N2O2 MolecularWeight: 560.76816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3C4=C(C=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3C4=C(C=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C

InChI

InChI=1S/C38H44N2O2/c1-5-7-9-10-11-16-25-40-27(4)35(29-19-13-15-23-33(29)40)37-36-30(20-17-21-31(36)38(41)42-37)34-26(3)39(24-8-6-2)32-22-14-12-18-28(32)34/h12-15,17-23,37H,5-11,16,24-25H2,1-4H3