[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H23N3O4/c1-5-11-21-19(24)13-27-20(25)10-9-18-14(2)22-23(15(18)3)16-7-6-8-17(12-16)26-4/h1,6-8,12H,9-11,13H2,2-4H3,(H,21,24)