ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(3-phenylpropanoylamino)ethanoate

Systemtic Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(3-phenylpropanoylamino)ethanoate Openeye Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(3-phenylpropanoylamino)acetate CAS Name: (2S)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(1-oxo-3-phenylpropyl)amino]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-phenylpropanoylamino)acetate Traditional Name: (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(hydrocinnamoylamino)acetic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-4-30-24(29)23(25-21(28)16-15-19-11-7-5-8-12-19)22-17(2)26-27(18(22)3)20-13-9-6-10-14-20/h5-14,23H,4,15-16H2,1-3H3,(H,25,28)/t23-/m0/s1