[3-(1,3-benzoxazol-2-yl)-2-oxidanylidene-chromen-7-yl] octanoate

Systemtic Name: [3-(1,3-benzoxazol-2-yl)-2-oxidanylidene-chromen-7-yl] octanoate Openeye Name: [3-(1,3-benzoxazol-2-yl)-2-oxo-chromen-7-yl] octanoate CAS Name: octanoic acid [3-(1,3-benzoxazol-2-yl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate Traditional Name: caprylic acid [3-(1,3-benzoxazol-2-yl)-2-keto-chromen-7-yl] ester Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H23NO5/c1-2-3-4-5-6-11-22(26)28-17-13-12-16-14-18(24(27)30-21(16)15-17)23-25-19-9-7-8-10-20(19)29-23/h7-10,12-15H,2-6,11H2,1H3