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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-methyliminoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propionic acid Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CN=C1N(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H23N5O2/c1-23-20-24(16-7-2-14(3-8-16)4-11-18(26)27)12-13-25(20)17-9-5-15(6-10-17)19(21)22/h2-3,5-10H,4,11-13H2,1H3,(H3,21,22)(H,26,27)