[2-oxidanylidene-2-(phenethylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-16(2)14-25-18(4)20(17(3)24-25)10-11-22(27)28-15-21(26)23-13-12-19-8-6-5-7-9-19/h5-9,16H,10-15H2,1-4H3,(H,23,26)