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

Systemtic Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(CN3C(C4=CC=C(C=C4)C#N)NC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(CN3C(C4=CC=C(C=C4)C#N)NC)C

InChI

InChI=1S/C28H30N6O4/c1-4-37-26(35)14-16-33(25-7-5-6-15-31-25)28(36)38-22-12-13-23-24(17-22)34(19-32(23)3)27(30-2)21-10-8-20(18-29)9-11-21/h5-13,15,17,27,30H,4,14,16,19H2,1-3H3