ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H29N5O4/c1-3-36-26(34)15-16-33(21-7-5-4-6-8-21)28(35)20-11-14-24-23(17-20)31-25(32(24)2)18-37-22-12-9-19(10-13-22)27(29)30/h4-14,17H,3,15-16,18H2,1-2H3,(H3,29,30)