(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-isopropoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]acetic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate Traditional Name: 2-[(4-isopropoxybenzoyl)amino]acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H21BrN3O5+ MolecularWeight: 475.31254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C21H20BrN3O5/c1-13(2)30-17-6-3-14(4-7-17)21(28)23-10-20(27)29-12-16-9-19(26)25-11-15(22)5-8-18(25)24-16/h3-9,11,13H,10,12H2,1-2H3,(H,23,28)/p+1