[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C)C)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-14(2)19-7-5-6-8-20(19)25-21(28)13-30-23(29)17-9-11-18(12-10-17)27-16(4)22(24)15(3)26-27/h5-12,14H,13H2,1-4H3,(H,25,28)