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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(2-phenylethanoylamino)ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-15-18(21(22)25(24-15)17-10-6-3-7-11-17)14-28-20(27)13-23-19(26)12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,23,26)