(4-butyl-2-cyano-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate

Systemtic Name: (4-butyl-2-cyano-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

InChI

InChI=1S/C29H37NO2/c1-4-6-7-22-10-17-28(27(19-22)20-30)32-29(31)26-15-13-25(14-16-26)24-11-8-23(9-12-24)18-21(3)5-2/h10,13-17,19,21,23-24H,4-9,11-12,18H2,1-3H3