(2S)-2-[2-bromanyl-5-(4-cyano-5-cyclopropyl-2-methyl-pyrazol-3-yl)oxy-4-methyl-phenoxy]propanoic acid

Systemtic Name: (2S)-2-[2-bromanyl-5-(4-cyano-5-cyclopropyl-2-methyl-pyrazol-3-yl)oxy-4-methyl-phenoxy]propanoic acid Openeye Name: (2S)-2-[2-bromo-5-(4-cyano-5-cyclopropyl-2-methyl-pyrazol-3-yl)oxy-4-methyl-phenoxy]propanoic acid CAS Name: (2S)-2-[2-bromo-5-[(4-cyano-5-cyclopropyl-2-methyl-3-pyrazolyl)oxy]-4-methylphenoxy]propanoic acid IUPAC Name: (2S)-2-[2-bromo-5-(4-cyano-5-cyclopropyl-2-methylpyrazol-3-yl)oxy-4-methylphenoxy]propanoic acid Traditional Name: (2S)-2-[2-bromo-5-(4-cyano-5-cyclopropyl-2-methyl-pyrazol-3-yl)oxy-4-methyl-phenoxy]propionic acid Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC2=C(C(=NN2C)C3CC3)C#N)OC(C)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1OC2=C(C(=NN2C)C3CC3)C#N)O[C@@H](C)C(=O)O)Br

InChI

InChI=1S/C18H18BrN3O4/c1-9-6-13(19)15(25-10(2)18(23)24)7-14(9)26-17-12(8-20)16(11-4-5-11)21-22(17)3/h6-7,10-11H,4-5H2,1-3H3,(H,23,24)/t10-/m0/s1