[2-cyano-4-(2-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate CAS Name: 4-(4-decylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate Traditional Name: 4-(4-decylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C35H49NO2/c1-4-6-7-8-9-10-11-12-13-28-14-17-30(18-15-28)31-19-21-32(22-20-31)35(37)38-34-23-16-29(24-27(3)5-2)25-33(34)26-36/h16,19-23,25,27-28,30H,4-15,17-18,24H2,1-3H3