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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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