(phenylmethyl) 2-[[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carbonyl]amino]acetate CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]acetate Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carbonyl]amino]acetic acid benzyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H25N3O5/c1-33-23-14-13-20(15-24(23)34-2)22-17-30(21-11-7-4-8-12-21)29-26(22)27(32)28-16-25(31)35-18-19-9-5-3-6-10-19/h3-15,17H,16,18H2,1-2H3,(H,28,32)