(phenylmethyl) 2-chloranyl-3-(3-cyano-4-cyclohexyl-phenyl)propanoate

Systemtic Name: (phenylmethyl) 2-chloranyl-3-(3-cyano-4-cyclohexyl-phenyl)propanoate Openeye Name: benzyl 2-chloro-3-(3-cyano-4-cyclohexyl-phenyl)propanoate CAS Name: 2-chloro-3-(3-cyano-4-cyclohexylphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-chloro-3-(3-cyano-4-cyclohexylphenyl)propanoate Traditional Name: 2-chloro-3-(3-cyano-4-cyclohexyl-phenyl)propionic acid benzyl ester Formula: C23H24ClNO2 MolecularWeight: 381.89516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)Cl)C#N

InChI

InChI=1S/C23H24ClNO2/c24-22(23(26)27-16-17-7-3-1-4-8-17)14-18-11-12-21(20(13-18)15-25)19-9-5-2-6-10-19/h1,3-4,7-8,11-13,19,22H,2,5-6,9-10,14,16H2