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

Systemtic Name: 3,3-bis(2-methyl-1-propyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(2-methyl-1-propyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(2-methyl-1-propyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(2-methyl-1-propylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(2-methyl-1-propyl-indol-3-yl)phthalide Formula: C32H32N2O2 MolecularWeight: 476.60868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCC)C)C

Isomeric SMILES

CCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCC)C)C

InChI

InChI=1S/C32H32N2O2/c1-5-19-33-21(3)29(24-14-8-11-17-27(24)33)32(26-16-10-7-13-23(26)31(35)36-32)30-22(4)34(20-6-2)28-18-12-9-15-25(28)30/h7-18H,5-6,19-20H2,1-4H3