(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic 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 4-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)OCC4CCCO4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)OCC4CCCO4)C=C1

InChI

InChI=1S/C22H22N2O5/c1-15-4-9-20-23-17(11-21(25)24(20)12-15)13-29-22(26)16-5-7-18(8-6-16)28-14-19-3-2-10-27-19/h4-9,11-12,19H,2-3,10,13-14H2,1H3