[5-[2-(tert-butylamino)-1-oxidanyl-propyl]-2-oxidanylidene-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [5-[2-(tert-butylamino)-1-oxidanyl-propyl]-2-oxidanylidene-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [5-[2-(tert-butylamino)-1-hydroxy-propyl]-2-oxo-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-[2-(tert-butylamino)-1-hydroxypropyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[2-(tert-butylamino)-1-hydroxypropyl]-2-oxo-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-[2-(tert-butylamino)-1-hydroxy-propyl]-2-keto-1H-quinolin-8-yl] ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC4=C(C=C3)OCO4)O)NC(C)(C)C

Isomeric SMILES

CC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC4=C(C=C3)OCO4)O)NC(C)(C)C

InChI

InChI=1S/C24H26N2O6/c1-13(26-24(2,3)4)22(28)16-6-9-18(21-15(16)7-10-20(27)25-21)32-23(29)14-5-8-17-19(11-14)31-12-30-17/h5-11,13,22,26,28H,12H2,1-4H3,(H,25,27)