(phenylmethyl) 3-(3-bromanyl-5-cyano-4-cyclohexyl-phenyl)-2-chloranyl-propanoate

Systemtic Name: (phenylmethyl) 3-(3-bromanyl-5-cyano-4-cyclohexyl-phenyl)-2-chloranyl-propanoate Openeye Name: benzyl 3-(3-bromo-5-cyano-4-cyclohexyl-phenyl)-2-chloro-propanoate CAS Name: 3-(3-bromo-5-cyano-4-cyclohexylphenyl)-2-chloropropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-bromo-5-cyano-4-cyclohexylphenyl)-2-chloropropanoate Traditional Name: 3-(3-bromo-5-cyano-4-cyclohexyl-phenyl)-2-chloro-propionic acid benzyl ester Formula: C23H23BrClNO2 MolecularWeight: 460.79122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2C#N)CC(C(=O)OCC3=CC=CC=C3)Cl)Br

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2C#N)CC(C(=O)OCC3=CC=CC=C3)Cl)Br

InChI

InChI=1S/C23H23BrClNO2/c24-20-12-17(11-19(14-26)22(20)18-9-5-2-6-10-18)13-21(25)23(27)28-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,18,21H,2,5-6,9-10,13,15H2