4-(4-cyanophenyl)carbonyloxy-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(4-cyanophenyl)carbonyloxy-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(4-cyanobenzoyl)oxy-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-[(4-cyanophenyl)-oxomethoxy]-4-(2-pentylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-cyanobenzoyl)oxy-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-(2-amylphenyl)-4-(4-cyanobenzoyl)oxy-cyclohexa-2,5-diene-1-carboxylate Formula: C26H24NO4- MolecularWeight: 414.47306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H25NO4/c1-2-3-4-7-20-8-5-6-9-23(20)26(16-14-21(15-17-26)24(28)29)31-25(30)22-12-10-19(18-27)11-13-22/h5-6,8-17,21H,2-4,7H2,1H3,(H,28,29)/p-1