3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-phenyliminoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propionic acid Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=NC2=CC=CC=C2)N1C3=CC=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=NC2=CC=CC=C2)N1C3=CC=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H25N5O2/c26-24(27)19-9-13-22(14-10-19)30-17-16-29(25(30)28-20-4-2-1-3-5-20)21-11-6-18(7-12-21)8-15-23(31)32/h1-7,9-14H,8,15-17H2,(H3,26,27)(H,31,32)