[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N)C

InChI

InChI=1S/C22H22N4O4/c1-13-12-14(2)26(25-13)19-10-6-17(7-11-19)22(29)30-15(3)21(28)24-18-8-4-16(5-9-18)20(23)27/h4-12,15H,1-3H3,(H2,23,27)(H,24,28)/t15-/m1/s1