[(5S,6S)-6-(4-cyanophenyl)carbonyloxydecan-5-yl] 4-cyanobenzoate

Systemtic Name: [(5S,6S)-6-(4-cyanophenyl)carbonyloxydecan-5-yl] 4-cyanobenzoate Openeye Name: [(1S,2S)-1-butyl-2-(4-cyanobenzoyl)oxy-hexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(5S,6S)-6-[(4-cyanophenyl)-oxomethoxy]decan-5-yl] ester IUPAC Name: [(5S,6S)-6-(4-cyanobenzoyl)oxydecan-5-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S,2S)-1-butyl-2-(4-cyanobenzoyl)oxy-hexyl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCC)OC(=O)C1=CC=C(C=C1)C#N)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC[C@@H]([C@H](CCCC)OC(=O)C1=CC=C(C=C1)C#N)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C26H28N2O4/c1-3-5-7-23(31-25(29)21-13-9-19(17-27)10-14-21)24(8-6-4-2)32-26(30)22-15-11-20(18-28)12-16-22/h9-16,23-24H,3-8H2,1-2H3/t23-,24-/m0/s1