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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

InChI

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