(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic 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-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O4/c1-14-3-2-4-24-18(25)6-17(23-20(14)24)12-28-19(26)11-21-7-15-5-16(8-21)10-22(27,9-15)13-21/h2-4,6,15-16,27H,5,7-13H2,1H3