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

Systemtic Name: (2-chloranyl-4-pentyl-phenyl) 3-cyano-4-pentoxy-benzoate Openeye Name: (2-chloro-4-pentyl-phenyl) 3-cyano-4-pentoxy-benzoate CAS Name: 3-cyano-4-pentoxybenzoic acid (2-chloro-4-pentylphenyl) ester IUPAC Name: (2-chloro-4-pentylphenyl) 3-cyano-4-pentoxybenzoate Traditional Name: 4-amoxy-3-cyano-benzoic acid (4-amyl-2-chloro-phenyl) ester Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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