ethyl 2-[3-[[2-[1-[6-[bis(azanyl)methylideneamino]-1H-benzimidazol-2-yl]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]carbonylamino]propoxy]benzoate

Systemtic Name: ethyl 2-[3-[[2-[1-[6-[bis(azanyl)methylideneamino]-1H-benzimidazol-2-yl]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]carbonylamino]propoxy]benzoate Openeye Name: ethyl 2-[3-[[2-[1-(6-guanidino-1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl]amino]propoxy]benzoate CAS Name: 2-[3-[[[2-[1-[6-(diaminomethylideneamino)-1H-benzimidazol-2-yl]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-oxomethyl]amino]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-[[2-[1-[6-(diaminomethylideneamino)-1H-benzimidazol-2-yl]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl]amino]propoxy]benzoate Traditional Name: 2-[3-[[2-[1-(6-guanidino-1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl]amino]propoxy]benzoic acid ethyl ester Formula: C29H35N9O4 MolecularWeight: 573.6461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OCCCNC(=O)C2CC3=C(CN2)NC(=N3)C(C)C4=NC5=C(N4)C=C(C=C5)N=C(N)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OCCCNC(=O)C2CC3=C(CN2)NC(=N3)C(C)C4=NC5=C(N4)C=C(C=C5)N=C(N)N

InChI

InChI=1S/C29H35N9O4/c1-3-41-28(40)18-7-4-5-8-24(18)42-12-6-11-32-27(39)22-14-21-23(15-33-22)38-26(37-21)16(2)25-35-19-10-9-17(34-29(30)31)13-20(19)36-25/h4-5,7-10,13,16,22,33H,3,6,11-12,14-15H2,1-2H3,(H,32,39)(H,35,36)(H,37,38)(H4,30,31,34)