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

Systemtic Name: (4-pentylphenyl) 4-(3-cyano-4-nonoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-cyano-4-nonoxy-phenyl)benzoate CAS Name: 4-(3-cyano-4-nonoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-cyano-4-nonoxyphenyl)benzoate Traditional Name: 4-(3-cyano-4-nonoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C34H41NO3 MolecularWeight: 511.69424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C34H41NO3/c1-3-5-7-8-9-10-12-24-37-33-23-20-30(25-31(33)26-35)28-16-18-29(19-17-28)34(36)38-32-21-14-27(15-22-32)13-11-6-4-2/h14-23,25H,3-13,24H2,1-2H3