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

Systemtic Name: methyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: methyl 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid methyl ester Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H24N6O3/c1-31-22-11-8-19(26(34)32(14-12-25(33)35-2)23-5-3-4-13-28-23)15-21(22)30-24(31)17-29-20-9-6-18(16-27)7-10-20/h3-11,13,15,29H,12,14,17H2,1-2H3