3-[4-[3-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)-2-oxo-imidazolidin-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(2-carbamimidoyl-4-ethoxycarbonylphenyl)-2-oxo-4-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-carbamimidoyl-4-ethoxycarbonylphenyl)-2-oxoimidazolidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(2-amidino-4-carbethoxy-phenyl)-2-keto-imidazolidin-4-yl]phenyl]propionic acid Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C(CNC2=O)C3=CC=C(C=C3)CCC(=O)O)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C(CNC2=O)C3=CC=C(C=C3)CCC(=O)O)C(=N)N

InChI

InChI=1S/C22H24N4O5/c1-2-31-21(29)15-8-9-17(16(11-15)20(23)24)26-18(12-25-22(26)30)14-6-3-13(4-7-14)5-10-19(27)28/h3-4,6-9,11,18H,2,5,10,12H2,1H3,(H3,23,24)(H,25,30)(H,27,28)