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

Systemtic Name: (4-butyl-2-chloranyl-phenyl) 3-cyano-4-pentoxy-benzoate Openeye Name: (4-butyl-2-chloro-phenyl) 3-cyano-4-pentoxy-benzoate CAS Name: 3-cyano-4-pentoxybenzoic acid (4-butyl-2-chlorophenyl) ester IUPAC Name: (4-butyl-2-chlorophenyl) 3-cyano-4-pentoxybenzoate Traditional Name: 4-amoxy-3-cyano-benzoic acid (4-butyl-2-chloro-phenyl) ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCC)Cl)C#N

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCC)Cl)C#N

InChI

InChI=1S/C23H26ClNO3/c1-3-5-7-13-27-21-12-10-18(15-19(21)16-25)23(26)28-22-11-9-17(8-6-4-2)14-20(22)24/h9-12,14-15H,3-8,13H2,1-2H3