methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexyl]oxybenzoate

Systemtic Name: methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexyl]oxybenzoate Openeye Name: methyl 3-[4-(1,3-dioxoisoindolin-2-yl)cyclohexoxy]benzoate CAS Name: 3-[4-(1,3-dioxo-2-isoindolyl)cyclohexyl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]oxybenzoate Traditional Name: 3-(4-phthalimidocyclohexoxy)benzoic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21NO5/c1-27-22(26)14-5-4-6-17(13-14)28-16-11-9-15(10-12-16)23-20(24)18-7-2-3-8-19(18)21(23)25/h2-8,13,15-16H,9-12H2,1H3