2-[(3-methoxy-4-phenoxy-phenyl)methyl]-3-(pyridin-2-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 2-[(3-methoxy-4-phenoxy-phenyl)methyl]-3-(pyridin-2-ylmethyl)-3H-isoindol-1-one Openeye Name: 2-[(3-methoxy-4-phenoxy-phenyl)methyl]-3-(2-pyridylmethyl)isoindolin-1-one CAS Name: 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3-(2-pyridinylmethyl)-3H-isoindol-1-one IUPAC Name: 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-3H-isoindol-1-one Traditional Name: 2-(3-methoxy-4-phenoxy-benzyl)-3-(2-pyridylmethyl)isoindolin-1-one Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(C3=CC=CC=C3C2=O)CC4=CC=CC=N4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(C3=CC=CC=C3C2=O)CC4=CC=CC=N4)OC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O3/c1-32-27-17-20(14-15-26(27)33-22-10-3-2-4-11-22)19-30-25(18-21-9-7-8-16-29-21)23-12-5-6-13-24(23)28(30)31/h2-17,25H,18-19H2,1H3