ethyl 2-[(5-carbamimidoylbenzimidazol-1-yl)methyl]-4-(3-carbamimidoylphenyl)butanoate

Systemtic Name: ethyl 2-[(5-carbamimidoylbenzimidazol-1-yl)methyl]-4-(3-carbamimidoylphenyl)butanoate Openeye Name: ethyl 2-[(5-carbamimidoylbenzimidazol-1-yl)methyl]-4-(3-carbamimidoylphenyl)butanoate CAS Name: 2-[(5-carbamimidoyl-1-benzimidazolyl)methyl]-4-(3-carbamimidoylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-carbamimidoylbenzimidazol-1-yl)methyl]-4-(3-carbamimidoylphenyl)butanoate Traditional Name: 2-[(5-amidinobenzimidazol-1-yl)methyl]-4-(3-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=CC(=C1)C(=N)N)CN2C=NC3=C2C=CC(=C3)C(=N)N

Isomeric SMILES

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

InChI

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