(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C(C(C)C)NC(=O)NC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)[C@H](C(C)C)NC(=O)NC3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H24N4O4/c1-14(2)20(25-22(29)24-16-7-5-4-6-8-16)21(28)30-13-17-11-19(27)26-12-15(3)9-10-18(26)23-17/h4-12,14,20H,13H2,1-3H3,(H2,24,25,29)/t20-/m0/s1