[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=NN2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=NN2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-3-18(15-7-5-4-6-8-15)22(28)29-14-21(27)24-20-13-19(25-26(20)2)16-9-11-17(23)12-10-16/h4-13,18H,3,14H2,1-2H3,(H,24,27)/t18-/m1/s1