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

Systemtic Name: ethyl 3-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-pyridin-3-yl-pyrazol-3-yl]propanoate Openeye Name: ethyl 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-(3-pyridyl)pyrazol-3-yl]propanoate CAS Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-(3-pyridinyl)-3-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-pyridin-3-ylpyrazol-3-yl]propanoate Traditional Name: 3-[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-(3-pyridyl)pyrazol-3-yl]propionic acid ethyl ester Formula: C29H30N8O2 MolecularWeight: 522.6009

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN(C(=C1)C2=CN=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCC1=NN(C(=C1)C2=CN=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C29H30N8O2/c1-3-39-28(38)13-10-22-15-26(20-5-4-14-32-17-20)37(35-22)23-11-12-25-24(16-23)34-27(36(25)2)18-33-21-8-6-19(7-9-21)29(30)31/h4-9,11-12,14-17,33H,3,10,13,18H2,1-2H3,(H3,30,31)