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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-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-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 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-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C23H31N3O3/c1-15(2)14-26-17(4)20(16(3)25-26)12-13-21(27)29-22(18-8-6-5-7-9-18)23(28)24-19-10-11-19/h5-9,15,19,22H,10-14H2,1-4H3,(H,24,28)