3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(4-amidinobenzoyl)amino]ethyl]phenyl]propionic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O3/c20-18(21)15-6-8-16(9-7-15)19(25)22-12-11-14-3-1-13(2-4-14)5-10-17(23)24/h1-4,6-9H,5,10-12H2,(H3,20,21)(H,22,25)(H,23,24)