2-[1-(3,4-diethylphenyl)-3-oxidanyl-propyl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(3,4-diethylphenyl)-3-oxidanyl-propyl]-3H-isoindol-1-one Openeye Name: 2-[1-(3,4-diethylphenyl)-3-hydroxy-propyl]isoindolin-1-one CAS Name: 2-[1-(3,4-diethylphenyl)-3-hydroxypropyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(3,4-diethylphenyl)-3-hydroxypropyl]-3H-isoindol-1-one Traditional Name: 2-[1-(3,4-diethylphenyl)-3-hydroxy-propyl]isoindolin-1-one Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CCO)N2CC3=CC=CC=C3C2=O)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(CCO)N2CC3=CC=CC=C3C2=O)CC

InChI

InChI=1S/C21H25NO2/c1-3-15-9-10-17(13-16(15)4-2)20(11-12-23)22-14-18-7-5-6-8-19(18)21(22)24/h5-10,13,20,23H,3-4,11-12,14H2,1-2H3