3-[5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C17H16BrN5O4 MolecularWeight: 434.24404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=CC=NN3CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=CC=NN3CCC(=O)O)Br

InChI

InChI=1S/C17H16BrN5O4/c18-12-1-3-14(4-2-12)27-11-22-10-13(9-20-22)21-17(26)15-5-7-19-23(15)8-6-16(24)25/h1-5,7,9-10H,6,8,11H2,(H,21,26)(H,24,25)