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

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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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(C)(C)C)OC1=O

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5/c1-5-6-13-26-22(27)20-14-17-9-12-19(15-21(17)31-24(20)29)30-23(28)16-7-10-18(11-8-16)25(2,3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,27)