[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3/c1-12(15-8-6-5-7-9-15)10-17(23)24-11-16(22)19-18-13(2)20-21(4)14(18)3/h5-9,12H,10-11H2,1-4H3,(H,19,22)/t12-/m0/s1