3-[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]phenyl]propanoic acid CAS Name: 3-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]phenyl]propionic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c18-16(19)12-5-7-13(8-6-12)17(23)20-14-3-1-2-11(10-14)4-9-15(21)22/h1-3,5-8,10H,4,9H2,(H3,18,19)(H,20,23)(H,21,22)