methyl 4-[2-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C28H27N3O5 MolecularWeight: 485.53108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H27N3O5/c1-34-22-13-14-23(25(17-22)35-2)26-24(18-31(30-26)21-7-5-4-6-8-21)27(32)29-16-15-19-9-11-20(12-10-19)28(33)36-3/h4-14,17-18H,15-16H2,1-3H3,(H,29,32)