[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

InChI

InChI=1S/C17H21N3O3/c1-4-12(2)19-16(21)11-23-17(22)14-5-7-15(8-6-14)20-13(3)9-10-18-20/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1