[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[5-(p-tolyl)oxazol-2-yl]benzoate CAS Name: 2-[5-(4-methylphenyl)-2-oxazolyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate Traditional Name: 2-[5-(p-tolyl)oxazol-2-yl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C22H18N2O4/c1-3-12-23-20(25)14-27-22(26)18-7-5-4-6-17(18)21-24-13-19(28-21)16-10-8-15(2)9-11-16/h1,4-11,13H,12,14H2,2H3,(H,23,25)