(phenylmethyl) (2R)-4-oxidanylidene-6-[(E)-4-oxidanylidenenon-5-enyl]-2-pentyl-2,3-dihydropyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-4-oxidanylidene-6-[(E)-4-oxidanylidenenon-5-enyl]-2-pentyl-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl (2R)-4-oxo-6-[(E)-4-oxonon-5-enyl]-2-pentyl-2,3-dihydropyridine-1-carboxylate CAS Name: (2R)-4-oxo-6-[(E)-4-oxonon-5-enyl]-2-pentyl-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-4-oxo-6-[(E)-4-oxonon-5-enyl]-2-pentyl-2,3-dihydropyridine-1-carboxylate Traditional Name: (2R)-2-amyl-4-keto-6-[(E)-4-ketonon-5-enyl]-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)C=C(N1C(=O)OCC2=CC=CC=C2)CCCC(=O)C=CCCC

Isomeric SMILES

CCCCC[C@@H]1CC(=O)C=C(N1C(=O)OCC2=CC=CC=C2)CCCC(=O)/C=C/CCC

InChI

InChI=1S/C27H37NO4/c1-3-5-8-15-23-19-26(30)20-24(16-12-18-25(29)17-9-6-4-2)28(23)27(31)32-21-22-13-10-7-11-14-22/h7,9-11,13-14,17,20,23H,3-6,8,12,15-16,18-19,21H2,1-2H3/b17-9+/t23-/m1/s1