(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C21H18BrN3O3/c22-15-8-9-19-24-16(10-20(26)25(19)12-15)13-28-21(27)7-3-4-14-11-23-18-6-2-1-5-17(14)18/h1-2,5-6,8-12,23H,3-4,7,13H2