methyl (2S)-3-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]propionic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-28-22(27)20(14-17-8-4-2-5-9-17)24-21(26)13-12-18-15-23-25(16-18)19-10-6-3-7-11-19/h2-11,15-16,20H,12-14H2,1H3,(H,24,26)/t20-/m0/s1