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

Systemtic Name: 2-bromanyl-3-(3-cyano-4-cyclohexyl-phenyl)propanoic acid Openeye Name: 2-bromo-3-(3-cyano-4-cyclohexyl-phenyl)propanoic acid CAS Name: 2-bromo-3-(3-cyano-4-cyclohexylphenyl)propanoic acid IUPAC Name: 2-bromo-3-(3-cyano-4-cyclohexylphenyl)propanoic acid Traditional Name: 2-bromo-3-(3-cyano-4-cyclohexyl-phenyl)propionic acid Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO2/c17-15(16(19)20)9-11-6-7-14(13(8-11)10-18)12-4-2-1-3-5-12/h6-8,12,15H,1-5,9H2,(H,19,20)