[5-[1-(4-methylphenyl)carbonyloxy-2-(propan-2-ylamino)butyl]-2-oxidanylidene-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [5-[1-(4-methylphenyl)carbonyloxy-2-(propan-2-ylamino)butyl]-2-oxidanylidene-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [5-[2-(isopropylamino)-1-(4-methylbenzoyl)oxy-butyl]-2-oxo-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-[1-[(4-methylphenyl)-oxomethoxy]-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-(4-methylbenzoyl)oxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-[2-(isopropylamino)-1-p-toluoyloxy-butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C32H32N2O7 MolecularWeight: 556.60568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=C(C=C5)C)NC(C)C

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=C(C=C5)C)NC(C)C

InChI

InChI=1S/C32H32N2O7/c1-5-24(33-18(2)3)30(41-31(36)20-8-6-19(4)7-9-20)23-11-14-26(29-22(23)12-15-28(35)34-29)40-32(37)21-10-13-25-27(16-21)39-17-38-25/h6-16,18,24,30,33H,5,17H2,1-4H3,(H,34,35)