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

Systemtic Name: methyl (2R)-2-[[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-2-[[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2R)-2-[[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NC(CO)C(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N[C@H](CO)C(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4/c1-14-9-10-17(15(2)11-14)20-18(21(27)23-19(13-26)22(28)29-3)12-25(24-20)16-7-5-4-6-8-16/h4-12,19,26H,13H2,1-3H3,(H,23,27)/t19-/m1/s1