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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoyl-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-3-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidino-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propionic acid ethyl ester Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN(C)C4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN(C)C4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H31N7O3/c1-4-38-26(36)13-15-35(22-6-5-14-31-17-22)28(37)20-9-12-24-23(16-20)32-25(34(24)3)18-33(2)21-10-7-19(8-11-21)27(29)30/h5-12,14,16-17H,4,13,15,18H2,1-3H3,(H3,29,30)