3-[5-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[(4-bromo-2-ethyl-3-pyrazolyl)methyl-methylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(4-bromo-2-ethylpyrazol-3-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]pyrazol-1-yl]propionic acid Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CN(C)C(=O)C2=CC=NN2CCC(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)Br)CN(C)C(=O)C2=CC=NN2CCC(=O)O

InChI

InChI=1S/C14H18BrN5O3/c1-3-19-12(10(15)8-17-19)9-18(2)14(23)11-4-6-16-20(11)7-5-13(21)22/h4,6,8H,3,5,7,9H2,1-2H3,(H,21,22)