1,3-benzodioxol-5-yl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4/c1-14-18(15(2)23(22-14)16-6-4-3-5-7-16)9-11-21(24)27-17-8-10-19-20(12-17)26-13-25-19/h3-8,10,12H,9,11,13H2,1-2H3