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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propionic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C20H27N3O3/c1-14-12-15(2)23(22-14)11-10-19(25)26-13-18(24)21-17-8-6-16(7-9-17)20(3,4)5/h6-9,12H,10-11,13H2,1-5H3,(H,21,24)