tert-butyl (2S)-5-diethoxyphosphoryl-4-oxidanylidene-2-(4-phenylmethoxybutyl)-2,3-dihydropyridine-1-carboxylate

Systemtic Name: tert-butyl (2S)-5-diethoxyphosphoryl-4-oxidanylidene-2-(4-phenylmethoxybutyl)-2,3-dihydropyridine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(4-benzyloxybutyl)-5-diethoxyphosphoryl-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: (2S)-5-diethoxyphosphoryl-4-oxo-2-(4-phenylmethoxybutyl)-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-diethoxyphosphoryl-4-oxo-2-(4-phenylmethoxybutyl)-2,3-dihydropyridine-1-carboxylate Traditional Name: (2S)-2-(4-benzoxybutyl)-5-diethoxyphosphoryl-4-keto-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester Formula: C25H38NO7P MolecularWeight: 495.545481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CN(C(CC1=O)CCCCOCC2=CC=CC=C2)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(C1=CN([C@H](CC1=O)CCCCOCC2=CC=CC=C2)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C25H38NO7P/c1-6-31-34(29,32-7-2)23-18-26(24(28)33-25(3,4)5)21(17-22(23)27)15-11-12-16-30-19-20-13-9-8-10-14-20/h8-10,13-14,18,21H,6-7,11-12,15-17,19H2,1-5H3/t21-/m0/s1