[7-(tert-butylamino)-5-oxidanyl-6-(phenylcarbonyl)-3,4-dihydro-2H-chromen-8-yl] ethanoate

Systemtic Name: [7-(tert-butylamino)-5-oxidanyl-6-(phenylcarbonyl)-3,4-dihydro-2H-chromen-8-yl] ethanoate Openeye Name: [6-benzoyl-7-(tert-butylamino)-5-hydroxy-chroman-8-yl] acetate CAS Name: acetic acid [6-benzoyl-7-(tert-butylamino)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-8-yl] ester IUPAC Name: [6-benzoyl-7-(tert-butylamino)-5-hydroxy-3,4-dihydro-2H-chromen-8-yl] acetate Traditional Name: acetic acid [6-benzoyl-7-(tert-butylamino)-5-hydroxy-chroman-8-yl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C(=C(C(=C1NC(C)(C)C)C(=O)C3=CC=CC=C3)O)CCCO2

Isomeric SMILES

CC(=O)OC1=C2C(=C(C(=C1NC(C)(C)C)C(=O)C3=CC=CC=C3)O)CCCO2

InChI

InChI=1S/C22H25NO5/c1-13(24)28-21-17(23-22(2,3)4)16(18(25)14-9-6-5-7-10-14)19(26)15-11-8-12-27-20(15)21/h5-7,9-10,23,26H,8,11-12H2,1-4H3