ethyl 6-[3-(octanoylamino)phenyl]-4-oxidanylidene-pyran-2-carboxylate

Systemtic Name: ethyl 6-[3-(octanoylamino)phenyl]-4-oxidanylidene-pyran-2-carboxylate Openeye Name: ethyl 6-[3-(octanoylamino)phenyl]-4-oxo-pyran-2-carboxylate CAS Name: 4-oxo-6-[3-(1-oxooctylamino)phenyl]-2-pyrancarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(octanoylamino)phenyl]-4-oxopyran-2-carboxylate Traditional Name: 6-[3-(caprylylamino)phenyl]-4-keto-pyran-2-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=CC(=C1)C2=CC(=O)C=C(O2)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=CC(=C1)C2=CC(=O)C=C(O2)C(=O)OCC

InChI

InChI=1S/C22H27NO5/c1-3-5-6-7-8-12-21(25)23-17-11-9-10-16(13-17)19-14-18(24)15-20(28-19)22(26)27-4-2/h9-11,13-15H,3-8,12H2,1-2H3,(H,23,25)