2-heptan-3-yl-3-oxidanyl-3-(phenylmethyl)isoindol-1-one

Systemtic Name: 2-heptan-3-yl-3-oxidanyl-3-(phenylmethyl)isoindol-1-one Openeye Name: 3-benzyl-2-(1-ethylpentyl)-3-hydroxy-isoindolin-1-one CAS Name: 2-heptan-3-yl-3-hydroxy-3-(phenylmethyl)-1-isoindolone IUPAC Name: 3-benzyl-2-heptan-3-yl-3-hydroxyisoindol-1-one Traditional Name: 3-benzyl-2-(1-ethylpentyl)-3-hydroxy-isoindolin-1-one Formula: C22H27NO2 MolecularWeight: 337.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C(=O)C2=CC=CC=C2C1(CC3=CC=CC=C3)O

Isomeric SMILES

CCCCC(CC)N1C(=O)C2=CC=CC=C2C1(CC3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO2/c1-3-5-13-18(4-2)23-21(24)19-14-9-10-15-20(19)22(23,25)16-17-11-7-6-8-12-17/h6-12,14-15,18,25H,3-5,13,16H2,1-2H3