methyl 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]amino]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]methyl]cyclohexanecarboxylic acid methyl ester Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)NCC3CCC(CC3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)NCC3CCC(CC3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H28N6O2/c1-29-21(16-9-7-15(8-10-16)20(24)25)27-18-11-12-19(28-22(18)29)26-13-14-3-5-17(6-4-14)23(30)31-2/h7-12,14,17H,3-6,13H2,1-2H3,(H3,24,25)(H,26,28)