(2S)-2-[2-(3-cyanophenyl)-4-methyl-phenoxy]propanoic acid

Systemtic Name: (2S)-2-[2-(3-cyanophenyl)-4-methyl-phenoxy]propanoic acid Openeye Name: (2S)-2-[2-(3-cyanophenyl)-4-methyl-phenoxy]propanoic acid CAS Name: (2S)-2-[2-(3-cyanophenyl)-4-methylphenoxy]propanoic acid IUPAC Name: (2S)-2-[2-(3-cyanophenyl)-4-methylphenoxy]propanoic acid Traditional Name: (2S)-2-[2-(3-cyanophenyl)-4-methyl-phenoxy]propionic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@@H](C)C(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H15NO3/c1-11-6-7-16(21-12(2)17(19)20)15(8-11)14-5-3-4-13(9-14)10-18/h3-9,12H,1-2H3,(H,19,20)/t12-/m0/s1