[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-15(2)8-7-9-16(3)22-19(24)14-26-20(25)17-12-21-23(13-17)18-10-5-4-6-11-18/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,22,24)