(4-butyl-2-chloranyl-phenyl) 3-cyano-4-hexoxy-benzoate

Systemtic Name: (4-butyl-2-chloranyl-phenyl) 3-cyano-4-hexoxy-benzoate Openeye Name: (4-butyl-2-chloro-phenyl) 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid (4-butyl-2-chlorophenyl) ester IUPAC Name: (4-butyl-2-chlorophenyl) 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid (4-butyl-2-chloro-phenyl) ester Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCC)Cl)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCC)Cl)C#N

InChI

InChI=1S/C24H28ClNO3/c1-3-5-7-8-14-28-22-13-11-19(16-20(22)17-26)24(27)29-23-12-10-18(9-6-4-2)15-21(23)25/h10-13,15-16H,3-9,14H2,1-2H3