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

Systemtic Name: 3,3-bis(1-hexyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(1-hexyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(1-hexyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(1-hexyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(1-hexyl-2-methyl-indol-3-yl)phthalide Formula: C38H44N2O2 MolecularWeight: 560.76816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCC)C)C

Isomeric SMILES

CCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCC)C)C

InChI

InChI=1S/C38H44N2O2/c1-5-7-9-17-25-39-27(3)35(30-20-12-15-23-33(30)39)38(32-22-14-11-19-29(32)37(41)42-38)36-28(4)40(26-18-10-8-6-2)34-24-16-13-21-31(34)36/h11-16,19-24H,5-10,17-18,25-26H2,1-4H3