2-[4-[3-(4-carbamimidoylphenyl)propanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(4-carbamimidoylphenyl)propanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylphenyl)propanoylamino]phenoxy]acetic acid CAS Name: 2-[4-[[3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylphenyl)propanoylamino]phenoxy]acetic acid Traditional Name: 2-[4-[3-(4-amidinophenyl)propanoylamino]phenoxy]acetic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NC2=CC=C(C=C2)OCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NC2=CC=C(C=C2)OCC(=O)O)C(=N)N

InChI

InChI=1S/C18H19N3O4/c19-18(20)13-4-1-12(2-5-13)3-10-16(22)21-14-6-8-15(9-7-14)25-11-17(23)24/h1-2,4-9H,3,10-11H2,(H3,19,20)(H,21,22)(H,23,24)