ethyl (2S)-2-[(4-chlorophenyl)carbonylamino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: ethyl (2S)-2-[(4-chlorophenyl)carbonylamino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: ethyl (2S)-2-[(4-chlorobenzoyl)amino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-chlorobenzoyl)amino]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid ethyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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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)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-4-29-22(28)20(24-21(27)16-10-12-17(23)13-11-16)19-14(2)25-26(15(19)3)18-8-6-5-7-9-18/h5-13,20H,4H2,1-3H3,(H,24,27)/t20-/m0/s1