ethyl 3-[[2-[2-[(4-carbamimidoyl-2-methoxy-phenyl)amino]ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[2-[(4-carbamimidoyl-2-methoxy-phenyl)amino]ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-carbamimidoyl-2-methoxy-anilino)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[2-(4-carbamimidoyl-2-methoxyanilino)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-carbamimidoyl-2-methoxyanilino)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[2-(4-amidino-2-methoxy-anilino)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C29H33N7O4 MolecularWeight: 543.61682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCNC4=C(C=C(C=C4)C(=N)N)OC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCNC4=C(C=C(C=C4)C(=N)N)OC)C

InChI

InChI=1S/C29H33N7O4/c1-4-40-27(37)13-16-36(25-7-5-6-14-33-25)29(38)20-9-11-23-22(17-20)34-26(35(23)2)12-15-32-21-10-8-19(28(30)31)18-24(21)39-3/h5-11,14,17-18,32H,4,12-13,15-16H2,1-3H3,(H3,30,31)