3-[4-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)isoxazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-5-isoxazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)isoxazol-5-yl]phenyl]propionic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H17N3O3/c20-19(21)15-8-6-13(7-9-15)16-11-17(25-22-16)14-4-1-12(2-5-14)3-10-18(23)24/h1-2,4-9,11H,3,10H2,(H3,20,21)(H,23,24)