methyl 4-[[3-phenylmethoxy-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-phenylmethoxy-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(1-benzyl-3-benzyloxy-pyrazole-4-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[3-phenylmethoxy-1-(phenylmethyl)-4-pyrazolyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-phenylmethoxypyrazole-4-carbonyl)amino]benzoate Traditional Name: 4-[(3-benzoxy-1-benzyl-pyrazole-4-carbonyl)amino]benzoic acid methyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-32-26(31)21-12-14-22(15-13-21)27-24(30)23-17-29(16-19-8-4-2-5-9-19)28-25(23)33-18-20-10-6-3-7-11-20/h2-15,17H,16,18H2,1H3,(H,27,30)