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

Systemtic Name: methyl (2S)-3-phenyl-2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propionic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-27-21(26)19(12-16-8-4-2-5-9-16)23-20(25)13-17-14-22-24(15-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,23,25)/t19-/m0/s1