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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CNC(=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/c1-15(2)14-26-22(27)20-12-17-8-11-19(13-21(17)31-24(20)29)30-23(28)16-6-9-18(10-7-16)25(3,4)5/h6-13,15H,14H2,1-5H3,(H,26,27)