[2-(butylamino)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)COC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3/c1-2-3-11-19-17(22)14-24-18(23)10-9-15-12-20-21(13-15)16-7-5-4-6-8-16/h4-8,12-13H,2-3,9-11,14H2,1H3,(H,19,22)