3-[4-[4-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-benzyloxycarbonyl-2-carbamimidoyl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-methyl-2-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-methylimidazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(2-amidino-4-carbobenzoxy-phenyl)-1-methyl-imidazol-2-yl]phenyl]propionic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)O)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C28H26N4O4/c1-32-16-24(31-27(32)20-10-7-18(8-11-20)9-14-25(33)34)22-13-12-21(15-23(22)26(29)30)28(35)36-17-19-5-3-2-4-6-19/h2-8,10-13,15-16H,9,14,17H2,1H3,(H3,29,30)(H,33,34)