ethyl 6-(hexadecanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 6-(hexadecanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate Openeye Name: ethyl 6-(hexadecanoylamino)-4-oxo-1H-cinnoline-3-carboxylate CAS Name: 4-oxo-6-(1-oxohexadecylamino)-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(hexadecanoylamino)-4-oxo-1H-cinnoline-3-carboxylate Traditional Name: 4-keto-6-palmitamido-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)NN=C(C2=O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)NN=C(C2=O)C(=O)OCC

InChI

InChI=1S/C27H41N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)28-21-18-19-23-22(20-21)26(32)25(30-29-23)27(33)34-4-2/h18-20H,3-17H2,1-2H3,(H,28,31)(H,29,32)