methyl (2R)-2-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-3-hydroxy-2-[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]propanoate CAS Name: (2R)-3-hydroxy-2-[[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-hydroxy-2-[[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]propanoate Traditional Name: (2R)-3-hydroxy-2-[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC(CO)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N[C@H](CO)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-14-8-6-7-11-16(14)19-17(20(26)22-18(13-25)21(27)28-2)12-24(23-19)15-9-4-3-5-10-15/h3-12,18,25H,13H2,1-2H3,(H,22,26)/t18-/m1/s1