5-phenoxy-2-[2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]isoindole-1,3-dione

Systemtic Name: 5-phenoxy-2-[2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]isoindole-1,3-dione Openeye Name: 5-phenoxy-2-[2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]isoindoline-1,3-dione CAS Name: 5-phenoxy-2-[2-(1-pyrrolidinylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]isoindole-1,3-dione IUPAC Name: 5-phenoxy-2-[2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]isoindole-1,3-dione Traditional Name: 5-phenoxy-2-[2-(pyrrolidinomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]isoindoline-1,3-quinone Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2COC3=C(O2)C=CC(=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)CC2COC3=C(O2)C=CC(=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C27H24N2O5/c30-26-22-10-9-20(33-19-6-2-1-3-7-19)15-23(22)27(31)29(26)18-8-11-24-25(14-18)32-17-21(34-24)16-28-12-4-5-13-28/h1-3,6-11,14-15,21H,4-5,12-13,16-17H2