(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H19BrN2O5/c1-22-15-4-2-3-5-16(15)23(20(22)25)7-6-19(24)28-12-13-10-17-18(11-14(13)21)27-9-8-26-17/h2-5,10-11H,6-9,12H2,1H3