ethyl 3-oxidanylidene-3-(6-oxidanyl-2-phenethyl-1H-benzimidazol-4-yl)propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-(6-oxidanyl-2-phenethyl-1H-benzimidazol-4-yl)propanoate Openeye Name: ethyl 3-(6-hydroxy-2-phenethyl-1H-benzimidazol-4-yl)-3-oxo-propanoate CAS Name: 3-(6-hydroxy-2-phenethyl-1H-benzimidazol-4-yl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(6-hydroxy-2-phenethyl-1H-benzimidazol-4-yl)-3-oxopropanoate Traditional Name: 3-(6-hydroxy-2-phenethyl-1H-benzimidazol-4-yl)-3-keto-propionic acid ethyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC(=CC2=C1N=C(N2)CCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC(=CC2=C1N=C(N2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O4/c1-2-26-19(25)12-17(24)15-10-14(23)11-16-20(15)22-18(21-16)9-8-13-6-4-3-5-7-13/h3-7,10-11,23H,2,8-9,12H2,1H3,(H,21,22)