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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic 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-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C23H25N3O5/c1-15(2)21(25-23(29)31-13-17-7-5-4-6-8-17)22(28)30-14-18-11-20(27)26-12-16(3)9-10-19(26)24-18/h4-12,15,21H,13-14H2,1-3H3,(H,25,29)/t21-/m0/s1