(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic 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-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C=C1

InChI

InChI=1S/C20H17N3O6/c1-12-2-5-17-22-14(7-18(24)23(17)9-12)10-27-19(25)8-21-20(26)13-3-4-15-16(6-13)29-11-28-15/h2-7,9H,8,10-11H2,1H3,(H,21,26)