(2-cyano-4-propyl-phenyl) 3-chloranyl-4-heptoxy-benzoate

Systemtic Name: (2-cyano-4-propyl-phenyl) 3-chloranyl-4-heptoxy-benzoate Openeye Name: (2-cyano-4-propyl-phenyl) 3-chloro-4-heptoxy-benzoate CAS Name: 3-chloro-4-heptoxybenzoic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 3-chloro-4-heptoxybenzoate Traditional Name: 3-chloro-4-heptoxy-benzoic acid (2-cyano-4-propyl-phenyl) ester Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCC)C#N)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCC)C#N)Cl

InChI

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