4-(3-azanyloxy-3-oxidanylidene-propyl)-3-[5-(4-carbamimidoylphenyl)pentanoyl]benzoic acid

Systemtic Name: 4-(3-azanyloxy-3-oxidanylidene-propyl)-3-[5-(4-carbamimidoylphenyl)pentanoyl]benzoic acid Openeye Name: 4-(3-aminooxy-3-oxo-propyl)-3-[5-(4-carbamimidoylphenyl)pentanoyl]benzoic acid CAS Name: 4-(3-aminooxy-3-oxopropyl)-3-[5-(4-carbamimidoylphenyl)-1-oxopentyl]benzoic acid IUPAC Name: 4-(3-aminooxy-3-oxopropyl)-3-[5-(4-carbamimidoylphenyl)pentanoyl]benzoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoyl]-4-(3-aminooxy-3-keto-propyl)benzoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)C2=C(C=CC(=C2)C(=O)O)CCC(=O)ON)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)C2=C(C=CC(=C2)C(=O)O)CCC(=O)ON)C(=N)N

InChI

InChI=1S/C22H25N3O5/c23-21(24)16-7-5-14(6-8-16)3-1-2-4-19(26)18-13-17(22(28)29)10-9-15(18)11-12-20(27)30-25/h5-10,13H,1-4,11-12,25H2,(H3,23,24)(H,28,29)