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

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C21H20BrN3O6 MolecularWeight: 490.304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H20BrN3O6/c1-24-15-4-2-3-5-16(15)25(21(24)28)7-6-20(27)31-12-19(26)23-14-11-18-17(10-13(14)22)29-8-9-30-18/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)