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

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3/c1-15-9-7-8-12-23(15)20(25)14-27-21(26)13-19-16(2)22-24(17(19)3)18-10-5-4-6-11-18/h4-6,10-11,15H,7-9,12-14H2,1-3H3/t15-/m0/s1