ethyl 3-[[4,6-dimethyl-1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]propanoate

Systemtic Name: ethyl 3-[[4,6-dimethyl-1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]propanoate Openeye Name: ethyl 3-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4,6-dimethyl-benzimidazol-2-yl]amino]propanoate CAS Name: 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-benzimidazolyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propanoate Traditional Name: 3-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4,6-dimethyl-benzimidazol-2-yl]amino]propionic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=NC2=C(C=C(C=C2N1CC3=C(C=CC(=N3)C)O)C)C

Isomeric SMILES

CCOC(=O)CCNC1=NC2=C(C=C(C=C2N1CC3=C(C=CC(=N3)C)O)C)C

InChI

InChI=1S/C21H26N4O3/c1-5-28-19(27)8-9-22-21-24-20-14(3)10-13(2)11-17(20)25(21)12-16-18(26)7-6-15(4)23-16/h6-7,10-11,26H,5,8-9,12H2,1-4H3,(H,22,24)