ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetate CAS Name: 2-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetate Traditional Name: 2-(N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid ethyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H29N5O3/c1-3-36-26(34)18-33(22-7-5-4-6-8-22)28(35)21-14-15-24-23(17-21)31-25(32(24)2)16-11-19-9-12-20(13-10-19)27(29)30/h4-10,12-15,17H,3,11,16,18H2,1-2H3,(H3,29,30)