hexyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: hexyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: hexyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid hexyl ester IUPAC Name: hexyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid hexyl ester Formula: C31H37N7O3 MolecularWeight: 555.67058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCCCCCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C31H37N7O3/c1-3-4-5-8-19-41-29(39)16-18-38(27-9-6-7-17-34-27)31(40)23-12-15-26-25(20-23)36-28(37(26)2)21-35-24-13-10-22(11-14-24)30(32)33/h6-7,9-15,17,20,35H,3-5,8,16,18-19,21H2,1-2H3,(H3,32,33)