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

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyrimidin-4-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-pyrimidin-4-yl-amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(4-pyrimidinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]-pyrimidin-4-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-(4-pyrimidyl)amino]propionic acid ethyl ester Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=NC=NC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=NC=NC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C26H27N7O4/c1-3-36-24(34)11-13-33(22-10-12-29-16-30-22)26(35)18-6-9-21-20(14-18)31-23(32(21)2)15-37-19-7-4-17(5-8-19)25(27)28/h4-10,12,14,16H,3,11,13,15H2,1-2H3,(H3,27,28)