3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-pyrazol-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-pyrazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-pyrazol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-3-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-phenylpyrazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-2-phenyl-pyrazol-3-yl]phenyl]propionic acid Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C25H22N4O2/c26-25(27)20-13-11-18(12-14-20)22-16-23(29(28-22)21-4-2-1-3-5-21)19-9-6-17(7-10-19)8-15-24(30)31/h1-7,9-14,16H,8,15H2,(H3,26,27)(H,30,31)