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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C

InChI

InChI=1S/C19H25N3O3/c1-5-16(6-2)20-18(23)12-25-19(24)15-7-9-17(10-8-15)22-14(4)11-13(3)21-22/h7-11,16H,5-6,12H2,1-4H3,(H,20,23)