[2-(butylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C

InChI

InChI=1S/C18H23N3O3/c1-4-5-10-19-17(22)12-24-18(23)15-6-8-16(9-7-15)21-14(3)11-13(2)20-21/h6-9,11H,4-5,10,12H2,1-3H3,(H,19,22)