methyl 4-[3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-pyrazol-1-yl]butanoate

Systemtic Name: methyl 4-[3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-pyrazol-1-yl]butanoate Openeye Name: methyl 4-[3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-pyrazol-1-yl]butanoate CAS Name: 4-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-1-pyrazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzodioxole-5-carbonylamino)-5-methylpyrazol-1-yl]butanoate Traditional Name: 4-[5-methyl-3-(piperonyloylamino)pyrazol-1-yl]butyric acid methyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O5/c1-11-8-15(19-20(11)7-3-4-16(21)23-2)18-17(22)12-5-6-13-14(9-12)25-10-24-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19,22)