[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-3-5-13(2)19-16(21)12-23-17(22)14-6-8-15(9-7-14)20-11-4-10-18-20/h4,6-11,13H,3,5,12H2,1-2H3,(H,19,21)