[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(C)C(C)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N[C@H](C)C(C)C

InChI

InChI=1S/C18H23N3O3/c1-12(2)14(4)20-17(22)11-24-18(23)15-5-7-16(8-6-15)21-13(3)9-10-19-21/h5-10,12,14H,11H2,1-4H3,(H,20,22)/t14-/m1/s1