(phenylmethyl) 2-methyl-5-(1-oxidanylhexyl)-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-(1-oxidanylhexyl)-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl 5-(1-hydroxyhexyl)-2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: 5-(1-hydroxyhexyl)-2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(1-hydroxyhexyl)-2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate Traditional Name: 5-(1-hydroxyhexyl)-4-keto-2-methyl-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CN(C(CC1=O)C)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(C1=CN(C(CC1=O)C)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO4/c1-3-4-6-11-18(22)17-13-21(15(2)12-19(17)23)20(24)25-14-16-9-7-5-8-10-16/h5,7-10,13,15,18,22H,3-4,6,11-12,14H2,1-2H3