4-[[[1-(3-carbamimidoylphenoxy)-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[1-(3-carbamimidoylphenoxy)-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[1-[(3-carbamimidoylphenoxy)methyl]-3-hydroxy-3-oxo-propyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-(3-carbamimidoylphenoxy)-4-hydroxy-4-oxobutan-2-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(3-carbamimidoylphenoxy)-4-hydroxy-4-oxobutan-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-[(3-amidinophenoxy)methyl]-3-hydroxy-3-keto-propyl]amino]methyl]benzoic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CC(=O)O)NCC2=CC=C(C=C2)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CC(=O)O)NCC2=CC=C(C=C2)C(=O)O)C(=N)N

InChI

InChI=1S/C19H21N3O5/c20-18(21)14-2-1-3-16(8-14)27-11-15(9-17(23)24)22-10-12-4-6-13(7-5-12)19(25)26/h1-8,15,22H,9-11H2,(H3,20,21)(H,23,24)(H,25,26)