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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyano-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyano-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-3-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(3-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=CN=CC=C1)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=CN=CC=C1)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)13-15-34(23-6-5-14-30-18-23)28(36)21-9-12-25-24(16-21)31-26(33(25)3)19-32(2)22-10-7-20(17-29)8-11-22/h5-12,14,16,18H,4,13,15,19H2,1-3H3