[4-[3-cyano-4-(2-methylbutoxy)phenyl]phenyl] 4-octylbenzoate

Systemtic Name: [4-[3-cyano-4-(2-methylbutoxy)phenyl]phenyl] 4-octylbenzoate Openeye Name: [4-[3-cyano-4-(2-methylbutoxy)phenyl]phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-[3-cyano-4-(2-methylbutoxy)phenyl]phenyl] ester IUPAC Name: [4-[3-cyano-4-(2-methylbutoxy)phenyl]phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-[3-cyano-4-(2-methylbutoxy)phenyl]phenyl] ester Formula: C33H39NO3 MolecularWeight: 497.66766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)OCC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)OCC(C)CC)C#N

InChI

InChI=1S/C33H39NO3/c1-4-6-7-8-9-10-11-26-12-14-28(15-13-26)33(35)37-31-19-16-27(17-20-31)29-18-21-32(30(22-29)23-34)36-24-25(3)5-2/h12-22,25H,4-11,24H2,1-3H3