[2-[[(2R)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-[[(2R)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-[[(2R)-2-ethylhexyl]amino]-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-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-ethylhexyl]amino]-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-[[(2R)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCC[C@@H](CC)CNC(=O)COC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C23H33N3O3/c1-5-7-11-19(6-2)15-24-22(27)16-29-23(28)14-21-17(3)25-26(18(21)4)20-12-9-8-10-13-20/h8-10,12-13,19H,5-7,11,14-16H2,1-4H3,(H,24,27)/t19-/m1/s1