(4-pentylphenyl) 4-(3-cyano-4-hexoxy-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(3-cyano-4-hexoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-cyano-4-hexoxy-phenyl)benzoate CAS Name: 4-(3-cyano-4-hexoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-cyano-4-hexoxyphenyl)benzoate Traditional Name: 4-(3-cyano-4-hexoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C31H35NO3/c1-3-5-7-9-21-34-30-20-17-27(22-28(30)23-32)25-13-15-26(16-14-25)31(33)35-29-18-11-24(12-19-29)10-8-6-4-2/h11-20,22H,3-10,21H2,1-2H3