[2-(butylamino)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-3-4-10-18-16(21)12-23-17(22)14-5-7-15(8-6-14)20-13(2)9-11-19-20/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,21)