2-(4-oxidanylbutyl)-3-phenyl-3-propoxy-isoindol-1-one

Systemtic Name: 2-(4-oxidanylbutyl)-3-phenyl-3-propoxy-isoindol-1-one Openeye Name: 2-(4-hydroxybutyl)-3-phenyl-3-propoxy-isoindolin-1-one CAS Name: 2-(4-hydroxybutyl)-3-phenyl-3-propoxy-1-isoindolone IUPAC Name: 2-(4-hydroxybutyl)-3-phenyl-3-propoxyisoindol-1-one Traditional Name: 2-(4-hydroxybutyl)-3-phenyl-3-propoxy-isoindolin-1-one Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2=CC=CC=C2C(=O)N1CCCCO)C3=CC=CC=C3

Isomeric SMILES

CCCOC1(C2=CC=CC=C2C(=O)N1CCCCO)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c1-2-16-25-21(17-10-4-3-5-11-17)19-13-7-6-12-18(19)20(24)22(21)14-8-9-15-23/h3-7,10-13,23H,2,8-9,14-16H2,1H3