(4-cyanophenyl) 3-(2-cyclohexyl-4-pentan-2-yl-phenyl)propanoate

Systemtic Name: (4-cyanophenyl) 3-(2-cyclohexyl-4-pentan-2-yl-phenyl)propanoate Openeye Name: (4-cyanophenyl) 3-[2-cyclohexyl-4-(1-methylbutyl)phenyl]propanoate CAS Name: 3-(2-cyclohexyl-4-pentan-2-ylphenyl)propanoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(2-cyclohexyl-4-pentan-2-ylphenyl)propanoate Traditional Name: 3-[2-cyclohexyl-4-(1-methylbutyl)phenyl]propionic acid (4-cyanophenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC(=C(C=C1)CCC(=O)OC2=CC=C(C=C2)C#N)C3CCCCC3

Isomeric SMILES

CCCC(C)C1=CC(=C(C=C1)CCC(=O)OC2=CC=C(C=C2)C#N)C3CCCCC3

InChI

InChI=1S/C27H33NO2/c1-3-7-20(2)24-13-12-23(26(18-24)22-8-5-4-6-9-22)14-17-27(29)30-25-15-10-21(19-28)11-16-25/h10-13,15-16,18,20,22H,3-9,14,17H2,1-2H3