[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C21H16FN3O4 MolecularWeight: 393.367843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FN3O4/c1-13-18(25-29-20(13)14-2-6-16(22)7-3-14)12-28-21(27)15-4-8-17(9-5-15)24-19(26)10-11-23/h2-9H,10,12H2,1H3,(H,24,26)