(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(3-ethyl-2-keto-benzimidazol-1-yl)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H19ClN2O5/c1-2-22-15-5-3-4-6-16(15)23(20(22)25)8-7-18(24)26-11-13-9-14(21)19-17(10-13)27-12-28-19/h3-6,9-10H,2,7-8,11-12H2,1H3