[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H29N3O3/c1-14-20(15(2)24(6)23-14)22-18(25)13-27-19(26)12-9-16-7-10-17(11-8-16)21(3,4)5/h7-8,10-11H,9,12-13H2,1-6H3,(H,22,25)