ethyl (2R)-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonyloxyethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonyloxyethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)oxyacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethoxy]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)oxyacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)oxyacetyl]pipecolinic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O5/c1-4-29-21(27)18-12-8-9-13-24(18)19(26)14-30-22(28)20-15(2)23-25(16(20)3)17-10-6-5-7-11-17/h5-7,10-11,18H,4,8-9,12-14H2,1-3H3/t18-/m1/s1