5-(2-methoxyphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(2-methoxyphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione Openeye Name: 5-(2-methoxyphenoxy)-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-dione CAS Name: 5-(2-methoxyphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-(2-methoxyphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione Traditional Name: 5-(2-methoxyphenoxy)-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-quinone Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=NC=C5

InChI

InChI=1S/C27H20N2O4/c1-32-24-4-2-3-5-25(24)33-21-10-11-22-23(17-21)27(31)29(26(22)30)20-8-6-18(7-9-20)16-19-12-14-28-15-13-19/h2-15,17H,16H2,1H3