3-(3-bromanyl-5-cyano-4-cyclohexyl-phenyl)-2-chloranyl-propanoic acid

Systemtic Name: 3-(3-bromanyl-5-cyano-4-cyclohexyl-phenyl)-2-chloranyl-propanoic acid Openeye Name: 3-(3-bromo-5-cyano-4-cyclohexyl-phenyl)-2-chloro-propanoic acid CAS Name: 3-(3-bromo-5-cyano-4-cyclohexylphenyl)-2-chloropropanoic acid IUPAC Name: 3-(3-bromo-5-cyano-4-cyclohexylphenyl)-2-chloropropanoic acid Traditional Name: 3-(3-bromo-5-cyano-4-cyclohexyl-phenyl)-2-chloro-propionic acid Formula: C16H17BrClNO2 MolecularWeight: 370.66868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrClNO2/c17-13-7-10(8-14(18)16(20)21)6-12(9-19)15(13)11-4-2-1-3-5-11/h6-7,11,14H,1-5,8H2,(H,20,21)