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

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4/c1-16-21(17(2)27(3)26-16)13-14-23(29)31-15-22(28)18-9-11-20(12-10-18)25-24(30)19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3,(H,25,30)