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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyano-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyano-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN(C)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN(C)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C28H28N6O3/c1-4-37-27(35)14-16-34(25-7-5-6-15-30-25)28(36)21-10-13-24-23(17-21)31-26(33(24)3)19-32(2)22-11-8-20(18-29)9-12-22/h5-13,15,17H,4,14,16,19H2,1-3H3