3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]-3-(5-oxidanylcyclooctyl)oxy-isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]-3-(5-oxidanylcyclooctyl)oxy-isoindol-1-one Openeye Name: 3-(4-chlorophenyl)-3-(5-hydroxycyclooctoxy)-2-[(4-nitrophenyl)methyl]isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-3-(5-hydroxycyclooctyl)oxy-2-[(4-nitrophenyl)methyl]-1-isoindolone IUPAC Name: 3-(4-chlorophenyl)-3-(5-hydroxycyclooctyl)oxy-2-[(4-nitrophenyl)methyl]isoindol-1-one Traditional Name: 3-(4-chlorophenyl)-3-(5-hydroxycyclooctoxy)-2-(4-nitrobenzyl)isoindolin-1-one Formula: C29H29ClN2O5 MolecularWeight: 521.00396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)OC2(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1CC(CCCC(C1)OC2(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C29H29ClN2O5/c30-22-15-13-21(14-16-22)29(37-25-7-3-5-24(33)6-4-8-25)27-10-2-1-9-26(27)28(34)31(29)19-20-11-17-23(18-12-20)32(35)36/h1-2,9-18,24-25,33H,3-8,19H2