4-[[[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[1-[(4-phenylphenoxy)methyl]-3-pyrazolyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21N3O4/c29-24(26-16-18-6-8-21(9-7-18)25(30)31)23-14-15-28(27-23)17-32-22-12-10-20(11-13-22)19-4-2-1-3-5-19/h1-15H,16-17H2,(H,26,29)(H,30,31)