2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid CAS Name: 2-(N-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=C3)N=C1COC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=C3)N=C1COC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O4/c1-29-21-12-9-17(25(33)30(14-23(31)32)18-5-3-2-4-6-18)13-20(21)28-22(29)15-34-19-10-7-16(8-11-19)24(26)27/h2-13H,14-15H2,1H3,(H3,26,27)(H,31,32)