2-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(1,3-benzoxazol-2-yl)benzyl]oxycyclopentyl]isoindoline-1,3-quinone Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CC(C(C1)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H22N2O4/c30-26-19-6-1-2-7-20(19)27(31)29(26)22-9-5-11-24(22)32-16-17-12-14-18(15-13-17)25-28-21-8-3-4-10-23(21)33-25/h1-4,6-8,10,12-15,22,24H,5,9,11,16H2