(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-2-[(2-methylphenyl)carbonylamino]pentanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-2-[(2-methylphenyl)carbonylamino]pentanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-2-[(2-methylbenzoyl)amino]pentanoate CAS Name: 4-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]pentanoic 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-methyl-2-[(2-methylbenzoyl)amino]pentanoate Traditional Name: 4-methyl-2-(o-toluoylamino)valeric acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H24BrN3O4 MolecularWeight: 486.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C23H24BrN3O4/c1-14(2)10-19(26-22(29)18-7-5-4-6-15(18)3)23(30)31-13-17-11-21(28)27-12-16(24)8-9-20(27)25-17/h4-9,11-12,14,19H,10,13H2,1-3H3,(H,26,29)