(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H17BrN2O5/c1-23-16-4-2-3-5-17(16)24(21(23)27)9-8-19(25)28-12-13-10-20(26)29-18-11-14(22)6-7-15(13)18/h2-7,10-11H,8-9,12H2,1H3