[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC=CO2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)NCC2=CC=CO2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O4/c1-13-17(18(21)24(23-13)12-15-7-4-3-5-8-15)20(26)28-14(2)19(25)22-11-16-9-6-10-27-16/h3-10,14H,11-12H2,1-2H3,(H,22,25)/t14-/m1/s1