[3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC1=O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC1=O

InChI

InChI=1S/C22H21NO5/c1-3-4-11-23-20(24)18-12-16-9-10-17(13-19(16)28-22(18)26)27-21(25)15-7-5-14(2)6-8-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)