(4-cyanophenyl)methyl 5-methanoyl-2-(4-octoxyphenyl)carbonyloxy-benzoate

Systemtic Name: (4-cyanophenyl)methyl 5-methanoyl-2-(4-octoxyphenyl)carbonyloxy-benzoate Openeye Name: (4-cyanophenyl)methyl 5-formyl-2-(4-octoxybenzoyl)oxy-benzoate CAS Name: 5-formyl-2-[(4-octoxyphenyl)-oxomethoxy]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-formyl-2-(4-octoxybenzoyl)oxybenzoate Traditional Name: 5-formyl-2-(4-octoxybenzoyl)oxy-benzoic acid (4-cyanobenzyl) ester Formula: C31H31NO6 MolecularWeight: 513.58094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO6/c1-2-3-4-5-6-7-18-36-27-15-13-26(14-16-27)30(34)38-29-17-12-25(21-33)19-28(29)31(35)37-22-24-10-8-23(20-32)9-11-24/h8-17,19,21H,2-7,18,22H2,1H3