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

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-methoxy-propyl]-3H-isoindol-1-one Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-methoxy-propyl]isoindolin-1-one CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-methoxypropyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-methoxypropyl]-3H-isoindol-1-one Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-methoxy-propyl]isoindolin-1-one Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCOC)N2CC3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCOC)N2CC3=CC=CC=C3C2=O)OCC

InChI

InChI=1S/C22H27NO4/c1-4-26-20-11-10-16(14-21(20)27-5-2)19(12-13-25-3)23-15-17-8-6-7-9-18(17)22(23)24/h6-11,14,19H,4-5,12-13,15H2,1-3H3