(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2O3/c1-18-7-8-29-23(9-18)28-22(11-24(29)30)16-32-25(31)27-14-19-10-20(15-27)13-26(12-19,17-27)21-5-3-2-4-6-21/h2-9,11,19-20H,10,12-17H2,1H3