[4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-cyanobenzoate

Systemtic Name: [4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-cyanobenzoate Openeye Name: [4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-[4-(2-methylbutyl)cyclohexyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutyl)cyclohexyl]phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-[4-(2-methylbutyl)cyclohexyl]phenyl] ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)CC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H29NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-12-14-24(15-13-22)28-25(27)23-10-6-20(17-26)7-11-23/h6-7,10-15,18-19,21H,3-5,8-9,16H2,1-2H3