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3-(4-cyanophenyl)-2-(4-pentylcyclohexyl)benzoate

3-(4-cyanophenyl)-2-(4-pentylcyclohexyl)benzoate

Systemtic Name:3-(4-cyanophenyl)-2-(4-pentylcyclohexyl)benzoate
Openeye Name:3-(4-cyanophenyl)-2-(4-pentylcyclohexyl)benzoate
CAS Name:3-(4-cyanophenyl)-2-(4-pentylcyclohexyl)benzoate
IUPAC Name:3-(4-cyanophenyl)-2-(4-pentylcyclohexyl)benzoate
Traditional Name:2-(4-amylcyclohexyl)-3-(4-cyanophenyl)benzoate
Formula: C25H28NO2-
MolecularWeight: 374.49532
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=C(C=CC=C2C(=O)[O-])C3=CC=C(C=C3)C#N


Isomeric SMILES

CCCCCC1CCC(CC1)C2=C(C=CC=C2C(=O)[O-])C3=CC=C(C=C3)C#N


InChI

InChI=1S/C25H29NO2/c1-2-3-4-6-18-9-15-21(16-10-18)24-22(7-5-8-23(24)25(27)28)20-13-11-19(17-26)12-14-20/h5,7-8,11-14,18,21H,2-4,6,9-10,15-16H2,1H3,(H,27,28)/p-1


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