3-[2-[(3-carbamimidoylphenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-carbamimidoylphenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[2-[(3-carbamimidoylbenzoyl)amino]phenyl]propanoic acid CAS Name: 3-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[2-[(3-carbamimidoylbenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[2-[(3-amidinobenzoyl)amino]phenyl]propionic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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