[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N[C@@H](C)CCC(C)C

InChI

InChI=1S/C21H29N3O3/c1-14(2)11-12-15(3)22-19(25)13-27-21(26)20-16(4)23-24(17(20)5)18-9-7-6-8-10-18/h6-10,14-15H,11-13H2,1-5H3,(H,22,25)/t15-/m0/s1