2-[1-(3,4-diethoxyphenyl)-3-(pyridin-3-ylmethoxy)propyl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-(pyridin-3-ylmethoxy)propyl]-3H-isoindol-1-one Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-(3-pyridylmethoxy)propyl]isoindolin-1-one CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-(3-pyridinylmethoxy)propyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-(pyridin-3-ylmethoxy)propyl]-3H-isoindol-1-one Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-(3-pyridylmethoxy)propyl]isoindolin-1-one Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCOCC2=CN=CC=C2)N3CC4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCOCC2=CN=CC=C2)N3CC4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C27H30N2O4/c1-3-32-25-12-11-21(16-26(25)33-4-2)24(13-15-31-19-20-8-7-14-28-17-20)29-18-22-9-5-6-10-23(22)27(29)30/h5-12,14,16-17,24H,3-4,13,15,18-19H2,1-2H3