3-[5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[(2-ethyl-3-pyrazolyl)methyl-phenethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(2-ethylpyrazol-3-yl)methyl-phenethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(2-ethylpyrazol-3-yl)methyl-phenethyl-carbamoyl]pyrazol-1-yl]propionic acid Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)CN(CCC2=CC=CC=C2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CCN1C(=CC=N1)CN(CCC2=CC=CC=C2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C21H25N5O3/c1-2-25-18(8-12-22-25)16-24(14-10-17-6-4-3-5-7-17)21(29)19-9-13-23-26(19)15-11-20(27)28/h3-9,12-13H,2,10-11,14-16H2,1H3,(H,27,28)