(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic 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 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c1-16-6-5-11-27-20(28)14-19(24-21(16)27)15-31-22(29)17-9-12-26(13-10-17)23(30)25-18-7-3-2-4-8-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,30)