[2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-3,4-dihydro-1H-quinolin-8-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-3,4-dihydro-1H-quinolin-8-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [5-[1-hydroxy-2-(isopropylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [5-[1-hydroxy-2-(isopropylamino)butyl]-2-keto-3,4-dihydro-1H-quinolin-8-yl] ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2CCC(=O)NC2=C(C=C1)OC(=O)C3=CC4=C(C=C3)OCCO4)O)NC(C)C

Isomeric SMILES

CCC(C(C1=C2CCC(=O)NC2=C(C=C1)OC(=O)C3=CC4=C(C=C3)OCCO4)O)NC(C)C

InChI

InChI=1S/C25H30N2O6/c1-4-18(26-14(2)3)24(29)17-6-9-20(23-16(17)7-10-22(28)27-23)33-25(30)15-5-8-19-21(13-15)32-12-11-31-19/h5-6,8-9,13-14,18,24,26,29H,4,7,10-12H2,1-3H3,(H,27,28)