[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H24N2O3 MolecularWeight: 376.44826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H24N2O3/c1-16-11-18(3)21(12-17(16)2)22(26)15-28-23(27)10-9-19-13-24-25(14-19)20-7-5-4-6-8-20/h4-8,11-14H,9-10,15H2,1-3H3