(4-cyanophenyl)methyl 5-[3-(4-octoxyphenyl)propanoyloxy]-2-oxidanyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 5-[3-(4-octoxyphenyl)propanoyloxy]-2-oxidanyl-benzoate Openeye Name: (4-cyanophenyl)methyl 2-hydroxy-5-[3-(4-octoxyphenyl)propanoyloxy]benzoate CAS Name: 2-hydroxy-5-[3-(4-octoxyphenyl)-1-oxopropoxy]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-hydroxy-5-[3-(4-octoxyphenyl)propanoyloxy]benzoate Traditional Name: 2-hydroxy-5-[3-(4-octoxyphenyl)propanoyloxy]benzoic acid (4-cyanobenzyl) ester Formula: C32H35NO6 MolecularWeight: 529.6234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CCC(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CCC(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C32H35NO6/c1-2-3-4-5-6-7-20-37-27-15-12-24(13-16-27)14-19-31(35)39-28-17-18-30(34)29(21-28)32(36)38-23-26-10-8-25(22-33)9-11-26/h8-13,15-18,21,34H,2-7,14,19-20,23H2,1H3