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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetate CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]acetic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetic acid [2-keto-1-methyl-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)CC(=O)OC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)OC(C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-15(2)14-25-17(4)20(16(3)24-25)13-21(26)28-18(5)22(27)23-12-11-19-9-7-6-8-10-19/h6-10,15,18H,11-14H2,1-5H3,(H,23,27)