[(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1R)-2-[4-(2-acetamidoethyl)phenyl]-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1R)-2-[4-(2-acetamidoethyl)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)CCNC(=O)C)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)CCNC(=O)C)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4/c1-15(22(28)19-10-8-17(9-11-19)12-13-24-16(2)27)30-23(29)21-14-20(25-26-21)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1