[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[[(1R,2S)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-[[(1R,2S)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H27N3O5/c1-6-13(2)19(21(27)28-5)22-17(25)12-29-20(26)18-14(3)23-24(15(18)4)16-10-8-7-9-11-16/h7-11,13,19H,6,12H2,1-5H3,(H,22,25)/t13-,19+/m0/s1