(1,3-diphenylpyrazol-4-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O5/c30-24(14-27-26(31)19-11-12-22-23(13-19)34-17-33-22)32-16-20-15-29(21-9-5-2-6-10-21)28-25(20)18-7-3-1-4-8-18/h1-13,15H,14,16-17H2,(H,27,31)