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

Systemtic Name: (4-pentylphenyl) 4-(3-cyano-4-pentoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-cyano-4-pentoxy-phenyl)benzoate CAS Name: 4-(3-cyano-4-pentoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-cyano-4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxy-3-cyano-phenyl)benzoic acid (4-amylphenyl) ester Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCC)C#N

InChI

InChI=1S/C30H33NO3/c1-3-5-7-9-23-10-17-28(18-11-23)34-30(32)25-14-12-24(13-15-25)26-16-19-29(27(21-26)22-31)33-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3