3-[2-(3-ethoxypropoxy)-3-(hexylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[2-(3-ethoxypropoxy)-3-(hexylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[2-(3-ethoxypropoxy)-3-(hexylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[2-(3-ethoxypropoxy)-3-(hexylamino)phenyl]-3-(1-ethyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[2-(3-ethoxypropoxy)-3-(hexylamino)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[2-(3-ethoxypropoxy)-3-(hexylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)phthalide Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=CC(=C1OCCCOCC)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C

Isomeric SMILES

CCCCCCNC1=CC=CC(=C1OCCCOCC)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C

InChI

InChI=1S/C36H44N2O4/c1-5-8-9-14-23-37-31-21-15-20-30(34(31)41-25-16-24-40-7-3)36(29-19-12-10-17-27(29)35(39)42-36)33-26(4)38(6-2)32-22-13-11-18-28(32)33/h10-13,15,17-22,37H,5-9,14,16,23-25H2,1-4H3