[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)CNC(=O)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)CNC(=O)C

InChI

InChI=1S/C22H21N3O4/c1-15-11-12-24-25(15)20-9-7-19(8-10-20)22(28)29-14-21(27)18-5-3-17(4-6-18)13-23-16(2)26/h3-12H,13-14H2,1-2H3,(H,23,26)