3-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylphenoxy)methyl]benzoyl]amino]butanoic acid CAS Name: 3-[[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylphenoxy)methyl]benzoyl]amino]butanoic acid Traditional Name: 3-[[3-[(4-amidinophenoxy)methyl]benzoyl]amino]butyric acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O4/c1-12(9-17(23)24)22-19(25)15-4-2-3-13(10-15)11-26-16-7-5-14(6-8-16)18(20)21/h2-8,10,12H,9,11H2,1H3,(H3,20,21)(H,22,25)(H,23,24)