[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

Isomeric SMILES

CC1=C(C=NN1C)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

InChI

InChI=1S/C19H23N3O4/c1-13-17(11-21-22(13)3)19(25)26-12-18(24)16-8-6-15(7-9-16)5-4-10-20-14(2)23/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23)