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

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-[(2S)-2-ethyl-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-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-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-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-4-18-10-8-9-13-24(18)21(26)15-28-22(27)14-20-16(2)23-25(17(20)3)19-11-6-5-7-12-19/h5-7,11-12,18H,4,8-10,13-15H2,1-3H3/t18-/m0/s1