3-[4-bromanyl-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[4-bromanyl-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid Openeye Name: 3-[4-bromo-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid CAS Name: 3-[4-bromo-5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propanoic acid IUPAC Name: 3-[4-bromo-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid Traditional Name: 3-[4-bromo-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propionic acid Formula: C19H16BrClN2O3 MolecularWeight: 435.69894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)CCC(=O)O)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)CCC(=O)O)Br)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16BrClN2O3/c1-26-15-8-6-14(7-9-15)23-19(12-2-4-13(21)5-3-12)18(20)16(22-23)10-11-17(24)25/h2-9H,10-11H2,1H3,(H,24,25)