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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)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-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4/c1-15-20(23(24)27(26-15)18-7-5-4-6-8-18)14-31-22(29)13-21(25-16(2)28)17-9-11-19(30-3)12-10-17/h4-12,21H,13-14H2,1-3H3,(H,25,28)