[(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)NCCOC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C(=O)NCCOC)C3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3O4/c1-16-10-11-19(14-17(16)2)22-21(15-27(26-22)20-8-6-5-7-9-20)24(29)31-18(3)23(28)25-12-13-30-4/h5-11,14-15,18H,12-13H2,1-4H3,(H,25,28)/t18-/m1/s1