(3Z)-5-(hydroxymethyl)-3-[1-(pyridin-2-ylmethylamino)hexadecylidene]oxolane-2,4-dione

Systemtic Name: (3Z)-5-(hydroxymethyl)-3-[1-(pyridin-2-ylmethylamino)hexadecylidene]oxolane-2,4-dione Openeye Name: (3Z)-5-(hydroxymethyl)-3-[1-(2-pyridylmethylamino)hexadecylidene]tetrahydrofuran-2,4-dione CAS Name: (3Z)-5-(hydroxymethyl)-3-[1-(2-pyridinylmethylamino)hexadecylidene]oxolane-2,4-dione IUPAC Name: (3Z)-5-(hydroxymethyl)-3-[1-(pyridin-2-ylmethylamino)hexadecylidene]oxolane-2,4-dione Traditional Name: (3Z)-5-methylol-3-[1-(2-pyridylmethylamino)hexadecylidene]tetrahydrofuran-2,4-quinone Formula: C27H42N2O4 MolecularWeight: 458.63338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=C1C(=O)C(OC1=O)CO)NCC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCC/C(=C/1\C(=O)C(OC1=O)CO)/NCC2=CC=CC=N2

InChI

InChI=1S/C27H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(29-20-22-17-15-16-19-28-22)25-26(31)24(21-30)33-27(25)32/h15-17,19,24,29-30H,2-14,18,20-21H2,1H3/b25-23-