[2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(1-methoxycarbonyl-3-methyl-butyl)amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[(1-carbomethoxy-3-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O5/c1-14(2)9-17(20(26)27-3)22-18(24)13-28-19(25)16-10-21-23(12-16)11-15-7-5-4-6-8-15/h4-8,10,12,14,17H,9,11,13H2,1-3H3,(H,22,24)