3-(2-cyanophenyl)-2-[4-(2-methylbutyl)cyclohexyl]benzoate

Systemtic Name: 3-(2-cyanophenyl)-2-[4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: 3-(2-cyanophenyl)-2-[4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 3-(2-cyanophenyl)-2-[4-(2-methylbutyl)cyclohexyl]benzoate IUPAC Name: 3-(2-cyanophenyl)-2-[4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 3-(2-cyanophenyl)-2-[4-(2-methylbutyl)cyclohexyl]benzoate Formula: C25H28NO2- MolecularWeight: 374.49532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1CCC(CC1)C2=C(C=CC=C2C(=O)[O-])C3=CC=CC=C3C#N

Isomeric SMILES

CCC(C)CC1CCC(CC1)C2=C(C=CC=C2C(=O)[O-])C3=CC=CC=C3C#N

InChI

InChI=1S/C25H29NO2/c1-3-17(2)15-18-11-13-19(14-12-18)24-22(9-6-10-23(24)25(27)28)21-8-5-4-7-20(21)16-26/h4-10,17-19H,3,11-15H2,1-2H3,(H,27,28)/p-1