4-[(4-carbamimidoylphenyl)carbonylamino]-2-phenoxy-butanoic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)carbonylamino]-2-phenoxy-butanoic acid Openeye Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-phenoxy-butanoic acid CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-phenoxybutanoic acid IUPAC Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-phenoxybutanoic acid Traditional Name: 4-[(4-amidinobenzoyl)amino]-2-phenoxy-butyric acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

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