(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(2-phenylethanoylamino)propanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(2-phenylethanoylamino)propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCNC(=O)CC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCNC(=O)CC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-16-19(22(23)26(25-16)18-10-6-3-7-11-18)15-29-21(28)12-13-24-20(27)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,24,27)