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

Systemtic Name: ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyrimidin-4-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-pyrimidin-4-yl-amino]propanoate CAS Name: 3-[[[2-[(4-cyanophenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(4-pyrimidinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]-pyrimidin-4-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-(4-pyrimidyl)amino]propionic acid ethyl ester Formula: C26H24N6O4 MolecularWeight: 484.50656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=NC=NC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=NC=NC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H24N6O4/c1-3-35-25(33)11-13-32(23-10-12-28-17-29-23)26(34)19-6-9-22-21(14-19)30-24(31(22)2)16-36-20-7-4-18(15-27)5-8-20/h4-10,12,14,17H,3,11,13,16H2,1-2H3