(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H21BrN2O4/c1-11-14(12(2)21(3)20-11)4-5-18(22)25-10-13-8-16-17(9-15(13)19)24-7-6-23-16/h8-9H,4-7,10H2,1-3H3