2-[[3-(benzotriazol-2-yl)-5-octyl-2-oxidanyl-phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-5-octyl-2-oxidanyl-phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-octyl-phenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[[3-(2-benzotriazolyl)-2-hydroxy-5-octylphenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-octylphenyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(benzotriazol-2-yl)-2-hydroxy-5-octyl-benzyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CN4C(=O)C5=C(C4=O)CCCC5

Isomeric SMILES

CCCCCCCCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CN4C(=O)C5=C(C4=O)CCCC5

InChI

InChI=1S/C29H34N4O3/c1-2-3-4-5-6-7-12-20-17-21(19-32-28(35)22-13-8-9-14-23(22)29(32)36)27(34)26(18-20)33-30-24-15-10-11-16-25(24)31-33/h10-11,15-18,34H,2-9,12-14,19H2,1H3