[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] butanoate

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] butanoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] butanoate CAS Name: butanoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] butanoate Traditional Name: butyric acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-2-6-20(24)27-17-10-9-16-13-18(22(26)28-19(16)14-17)21(25)23-12-11-15-7-4-3-5-8-15/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25)