ethyl 2-[(6-carbamimidoylbenzimidazol-1-yl)methyl]-4-(4-carbamimidoylphenyl)butanoate

Systemtic Name: ethyl 2-[(6-carbamimidoylbenzimidazol-1-yl)methyl]-4-(4-carbamimidoylphenyl)butanoate Openeye Name: ethyl 2-[(6-carbamimidoylbenzimidazol-1-yl)methyl]-4-(4-carbamimidoylphenyl)butanoate CAS Name: 2-[(6-carbamimidoyl-1-benzimidazolyl)methyl]-4-(4-carbamimidoylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-carbamimidoylbenzimidazol-1-yl)methyl]-4-(4-carbamimidoylphenyl)butanoate Traditional Name: 2-[(6-amidinobenzimidazol-1-yl)methyl]-4-(4-amidinophenyl)butyric acid ethyl ester Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)C(=N)N)CN2C=NC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)C(=N)N)CN2C=NC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N6O2/c1-2-30-22(29)17(8-5-14-3-6-15(7-4-14)20(23)24)12-28-13-27-18-10-9-16(21(25)26)11-19(18)28/h3-4,6-7,9-11,13,17H,2,5,8,12H2,1H3,(H3,23,24)(H3,25,26)