[4-(4-hexoxyphenyl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C34H41NO4 MolecularWeight: 527.69364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C#N

InChI

InChI=1S/C34H41NO4/c1-4-6-8-10-12-26(3)38-33-22-17-29(24-30(33)25-35)34(36)39-32-20-15-28(16-21-32)27-13-18-31(19-14-27)37-23-11-9-7-5-2/h13-22,24,26H,4-12,23H2,1-3H3