[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-14-18(10-11-20(26)28-13-19(25)22-21(3,4)5)15(2)24(23-14)16-8-7-9-17(12-16)27-6/h7-9,12H,10-11,13H2,1-6H3,(H,22,25)