3-[3-chloranyl-4-(2-methylpropoxy)phenyl]-2-cyano-propanoic acid

Systemtic Name: 3-[3-chloranyl-4-(2-methylpropoxy)phenyl]-2-cyano-propanoic acid Openeye Name: 3-(3-chloro-4-isobutoxy-phenyl)-2-cyano-propanoic acid CAS Name: 3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid IUPAC Name: 3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid Traditional Name: 3-(3-chloro-4-isobutoxy-phenyl)-2-cyano-propionic acid Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CC(C#N)C(=O)O)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CC(C#N)C(=O)O)Cl

InChI

InChI=1S/C14H16ClNO3/c1-9(2)8-19-13-4-3-10(6-12(13)15)5-11(7-16)14(17)18/h3-4,6,9,11H,5,8H2,1-2H3,(H,17,18)