ethyl 2-[[[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]-pyridin-2-yl-methyl]amino]oxyethanoate

Systemtic Name: ethyl 2-[[[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]-pyridin-2-yl-methyl]amino]oxyethanoate Openeye Name: ethyl 2-[[[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]-(2-pyridyl)methyl]amino]oxyacetate CAS Name: 2-[[[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]cyclopropyl]-(2-pyridinyl)methyl]amino]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[[[1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]cyclopropyl]-pyridin-2-ylmethyl]amino]oxyacetate Traditional Name: 2-[[[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]-(2-pyridyl)methyl]amino]oxyacetic acid ethyl ester Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CONC(C1=CC=CC=N1)C2(CC2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)CONC(C1=CC=CC=N1)C2(CC2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C29H33N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,27,33,35H,3,13-14,17-18H2,1-2H3,(H3,30,31)