(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C(C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-14-7-6-10-24-18(25)11-17(23-19(14)24)13-28-20(26)15(2)22-21(27)29-12-16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3,(H,22,27)