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

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H27N3O3/c1-17-22(18(2)28(27-17)21-11-7-4-8-12-21)15-16-23(29)31-24(19-9-5-3-6-10-19)25(30)26-20-13-14-20/h3-12,20,24H,13-16H2,1-2H3,(H,26,30)/t24-/m1/s1