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

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1,2,3,4-tetrazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)tetrazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-tetrazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)tetrazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)tetrazol-2-yl]phenyl]propionic acid Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2N=C(N=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2N=C(N=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H16N6O2/c18-16(19)12-4-6-13(7-5-12)17-20-22-23(21-17)14-8-1-11(2-9-14)3-10-15(24)25/h1-2,4-9H,3,10H2,(H3,18,19)(H,24,25)