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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic 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 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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