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

Systemtic Name: ethyl (2S)-2-(cyclopentylcarbonylamino)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: ethyl (2S)-2-(cyclopentanecarbonylamino)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: (2S)-2-[[cyclopentyl(oxo)methyl]amino]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(cyclopentanecarbonylamino)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: (2S)-2-(cyclopentanecarbonylamino)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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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)C3CCCC3

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)C3CCCC3

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)19(22-20(25)16-10-8-9-11-16)18-14(2)23-24(15(18)3)17-12-6-5-7-13-17/h5-7,12-13,16,19H,4,8-11H2,1-3H3,(H,22,25)/t19-/m0/s1