methyl 4-[[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-32-22-14-12-19(13-15-22)24-23(17-29(28-24)21-6-4-3-5-7-21)25(30)27-16-18-8-10-20(11-9-18)26(31)33-2/h3-15,17H,16H2,1-2H3,(H,27,30)