methyl 2,6-bis(chloranyl)-3-(5-phenylmethoxy-1-propan-2-yl-pyrazol-4-yl)carbonyl-benzoate

Systemtic Name: methyl 2,6-bis(chloranyl)-3-(5-phenylmethoxy-1-propan-2-yl-pyrazol-4-yl)carbonyl-benzoate Openeye Name: methyl 3-(5-benzyloxy-1-isopropyl-pyrazole-4-carbonyl)-2,6-dichloro-benzoate CAS Name: 2,6-dichloro-3-[oxo-(5-phenylmethoxy-1-propan-2-yl-4-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2,6-dichloro-3-(5-phenylmethoxy-1-propan-2-ylpyrazole-4-carbonyl)benzoate Traditional Name: 3-(5-benzoxy-1-isopropyl-pyrazole-4-carbonyl)-2,6-dichloro-benzoic acid methyl ester Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C=N1)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)OC)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=C(C=N1)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)OC)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20Cl2N2O4/c1-13(2)26-21(30-12-14-7-5-4-6-8-14)16(11-25-26)20(27)15-9-10-17(23)18(19(15)24)22(28)29-3/h4-11,13H,12H2,1-3H3