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

Systemtic Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(3-pyridyl)amino]propanoate CAS Name: 3-[[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxy-oxomethyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-pyridin-3-ylamino]propanoate Traditional Name: 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-(3-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=CN=CC=C1)C(=O)OC2=CC3=C(C=C2)N(CN3C(C4=CC=C(C=C4)C#N)NC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CN=CC=C1)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)13-15-33(22-6-5-14-31-18-22)28(36)38-23-11-12-24-25(16-23)34(19-32(24)3)27(30-2)21-9-7-20(17-29)8-10-21/h5-12,14,16,18,27,30H,4,13,15,19H2,1-3H3