5-phenoxy-2-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]isoindole-1,3-dione

Systemtic Name: 5-phenoxy-2-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]isoindole-1,3-dione Openeye Name: 5-phenoxy-2-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]isoindoline-1,3-dione CAS Name: 5-phenoxy-2-[3-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-yl]isoindole-1,3-dione IUPAC Name: 5-phenoxy-2-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]isoindole-1,3-dione Traditional Name: 5-phenoxy-2-[3-(pyrrolidinomethyl)-2H-chromen-7-yl]isoindoline-1,3-quinone Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC3=C(C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC=C6)OC2

Isomeric SMILES

C1CCN(C1)CC2=CC3=C(C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC=C6)OC2

InChI

InChI=1S/C28H24N2O4/c31-27-24-11-10-23(34-22-6-2-1-3-7-22)16-25(24)28(32)30(27)21-9-8-20-14-19(18-33-26(20)15-21)17-29-12-4-5-13-29/h1-3,6-11,14-16H,4-5,12-13,17-18H2