3-(2-oxidanyl-2-pentyl-heptyl)-2,3-dihydroisoindol-1-one

Systemtic Name: 3-(2-oxidanyl-2-pentyl-heptyl)-2,3-dihydroisoindol-1-one Openeye Name: 3-(2-hydroxy-2-pentyl-heptyl)isoindolin-1-one CAS Name: 3-(2-hydroxy-2-pentylheptyl)-2,3-dihydroisoindol-1-one IUPAC Name: 3-(2-hydroxy-2-pentylheptyl)-2,3-dihydroisoindol-1-one Traditional Name: 3-(2-amyl-2-hydroxy-heptyl)isoindolin-1-one Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)(CC1C2=CC=CC=C2C(=O)N1)O

Isomeric SMILES

CCCCCC(CCCCC)(CC1C2=CC=CC=C2C(=O)N1)O

InChI

InChI=1S/C20H31NO2/c1-3-5-9-13-20(23,14-10-6-4-2)15-18-16-11-7-8-12-17(16)19(22)21-18/h7-8,11-12,18,23H,3-6,9-10,13-15H2,1-2H3,(H,21,22)