(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H21Cl2N3O3/c1-14-19(22(24)27(26-14)18-6-4-3-5-7-18)13-30-21(29)12-20(25-15(2)28)16-8-10-17(23)11-9-16/h3-11,20H,12-13H2,1-2H3,(H,25,28)