ethyl 1-[3-(pyrimidin-4-ylmethoxymethyl)phenyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[3-(pyrimidin-4-ylmethoxymethyl)phenyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-[3-(pyrimidin-4-ylmethoxymethyl)phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-(4-pyrimidinylmethoxymethyl)phenyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(pyrimidin-4-ylmethoxymethyl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-(4-pyrimidylmethoxymethyl)phenyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)COCC4=NC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)COCC4=NC=NC=C4

InChI

InChI=1S/C22H20N4O3/c1-2-29-22(27)17-6-7-21-20(11-17)25-15-26(21)19-5-3-4-16(10-19)12-28-13-18-8-9-23-14-24-18/h3-11,14-15H,2,12-13H2,1H3