tert-butyl 4-oxidanylidene-2-pentyl-6-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-2-pentyl-6-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylate Openeye Name: tert-butyl 6-(3-benzyloxypropyl)-4-oxo-2-pentyl-2,3-dihydropyridine-1-carboxylate CAS Name: 4-oxo-2-pentyl-6-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-2-pentyl-6-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylate Traditional Name: 2-amyl-6-(3-benzoxypropyl)-4-keto-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)C=C(N1C(=O)OC(C)(C)C)CCCOCC2=CC=CC=C2

Isomeric SMILES

CCCCCC1CC(=O)C=C(N1C(=O)OC(C)(C)C)CCCOCC2=CC=CC=C2

InChI

InChI=1S/C25H37NO4/c1-5-6-8-14-21-17-23(27)18-22(26(21)24(28)30-25(2,3)4)15-11-16-29-19-20-12-9-7-10-13-20/h7,9-10,12-13,18,21H,5-6,8,11,14-17,19H2,1-4H3