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

Systemtic Name: (3-chloranyl-4-cyano-phenyl) 4-(3-pentylphenyl)benzoate Openeye Name: (3-chloro-4-cyano-phenyl) 4-(3-pentylphenyl)benzoate CAS Name: 4-(3-pentylphenyl)benzoic acid (3-chloro-4-cyanophenyl) ester IUPAC Name: (3-chloro-4-cyanophenyl) 4-(3-pentylphenyl)benzoate Traditional Name: 4-(3-amylphenyl)benzoic acid (3-chloro-4-cyano-phenyl) ester Formula: C25H22ClNO2 MolecularWeight: 403.90068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C25H22ClNO2/c1-2-3-4-6-18-7-5-8-21(15-18)19-9-11-20(12-10-19)25(28)29-23-14-13-22(17-27)24(26)16-23/h5,7-16H,2-4,6H2,1H3