[(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1R)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(N(N=C2C)C)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C)OCC

InChI

InChI=1S/C22H31N3O5/c1-7-9-12-29-18-11-10-17(13-19(18)28-8-2)22(27)30-16(5)21(26)23-20-14(3)24-25(6)15(20)4/h10-11,13,16H,7-9,12H2,1-6H3,(H,23,26)/t16-/m1/s1