[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-16-9-10-17(2)21(13-16)25-23(28)18(3)29-22(27)12-11-19-14-24-26(15-19)20-7-5-4-6-8-20/h4-10,13-15,18H,11-12H2,1-3H3,(H,25,28)