[4-[4-(4-chloranylpentan-2-yloxy)phenyl]phenyl] 4-cyanobenzoate

Systemtic Name: [4-[4-(4-chloranylpentan-2-yloxy)phenyl]phenyl] 4-cyanobenzoate Openeye Name: [4-[4-(3-chloro-1-methyl-butoxy)phenyl]phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-[4-(4-chloropentan-2-yloxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-chloropentan-2-yloxy)phenyl]phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-[4-(3-chloro-1-methyl-butoxy)phenyl]phenyl] ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)Cl)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(CC(C)Cl)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H22ClNO3/c1-17(26)15-18(2)29-23-11-7-20(8-12-23)21-9-13-24(14-10-21)30-25(28)22-5-3-19(16-27)4-6-22/h3-14,17-18H,15H2,1-2H3