[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H27N3O3/c1-5-17(6-2)21-18(24)13-26-20(25)19-14(3)22-23(15(19)4)12-16-10-8-7-9-11-16/h7-11,17H,5-6,12-13H2,1-4H3,(H,21,24)