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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetate CAS Name: 2-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetate Traditional Name: 2-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid ethyl ester Formula: C27H28N6O3 MolecularWeight: 484.54962

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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)CNC4=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)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H28N6O3/c1-3-36-25(34)17-33(21-7-5-4-6-8-21)27(35)19-11-14-23-22(15-19)31-24(32(23)2)16-30-20-12-9-18(10-13-20)26(28)29/h4-15,30H,3,16-17H2,1-2H3,(H3,28,29)