ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(pyrimidin-4-yl)amino]-4-(4-cyanophenoxy)butanoate

Systemtic Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(pyrimidin-4-yl)amino]-4-(4-cyanophenoxy)butanoate Openeye Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(pyrimidin-4-yl)amino]-4-(4-cyanophenoxy)butanoate CAS Name: 3-[[3H-benzimidazol-5-yloxy(oxo)methyl]-(4-pyrimidinyl)amino]-4-(4-cyanophenoxy)butanoic acid ethyl ester IUPAC Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(pyrimidin-4-yl)amino]-4-(4-cyanophenoxy)butanoate Traditional Name: 3-[3H-benzimidazol-5-yloxycarbonyl(4-pyrimidyl)amino]-4-(4-cyanophenoxy)butyric acid ethyl ester Formula: C25H22N6O5 MolecularWeight: 486.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(COC1=CC=C(C=C1)C#N)N(C2=NC=NC=C2)C(=O)OC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCOC(=O)CC(COC1=CC=C(C=C1)C#N)N(C2=NC=NC=C2)C(=O)OC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C25H22N6O5/c1-2-34-24(32)11-18(14-35-19-5-3-17(13-26)4-6-19)31(23-9-10-27-15-30-23)25(33)36-20-7-8-21-22(12-20)29-16-28-21/h3-10,12,15-16,18H,2,11,14H2,1H3,(H,28,29)