6-[3-(octanoylamino)phenyl]-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 6-[3-(octanoylamino)phenyl]-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 6-[3-(octanoylamino)phenyl]-4-oxo-pyran-2-carboxylic acid CAS Name: 4-oxo-6-[3-(1-oxooctylamino)phenyl]-2-pyrancarboxylic acid IUPAC Name: 6-[3-(octanoylamino)phenyl]-4-oxopyran-2-carboxylic acid Traditional Name: 6-[3-(caprylylamino)phenyl]-4-keto-pyran-2-carboxylic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-2-3-4-5-6-10-19(23)21-15-9-7-8-14(11-15)17-12-16(22)13-18(26-17)20(24)25/h7-9,11-13H,2-6,10H2,1H3,(H,21,23)(H,24,25)