[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3/c1-3-11-19-18(23)14(2)24-17(22)10-9-15-12-20-21(13-15)16-7-5-4-6-8-16/h3-8,12-14H,1,9-11H2,2H3,(H,19,23)