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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-2-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic 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 adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3C4CC5CC(C4)CC3C5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3C4CC5CC(C4)CC3C5)C=C1

InChI

InChI=1S/C21H24N2O3/c1-12-2-3-18-22-17(9-19(24)23(18)10-12)11-26-21(25)20-15-5-13-4-14(7-15)8-16(20)6-13/h2-3,9-10,13-16,20H,4-8,11H2,1H3