[1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-3-yl] 9H-xanthene-9-carboxylate hydrobromide

Systemtic Name: [1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-3-yl] 9H-xanthene-9-carboxylate hydrobromide Openeye Name: [1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-3-yl] 9H-xanthene-9-carboxylate hydrobromide CAS Name: 9H-xanthene-9-carboxylic acid [1-[3-(1,3-benzodioxol-5-yloxy)propyl]-3-pyrrolidinyl] ester hydrobromide IUPAC Name: [1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-3-yl] 9H-xanthene-9-carboxylate hydrobromide Traditional Name: 9H-xanthene-9-carboxylic acid [1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-3-yl] ester hydrobromide Formula: C28H28BrNO6 MolecularWeight: 554.42902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCCOC5=CC6=C(C=C5)OCO6.Br

Isomeric SMILES

C1CN(CC1OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCCOC5=CC6=C(C=C5)OCO6.Br

InChI

InChI=1S/C28H27NO6.BrH/c30-28(27-21-6-1-3-8-23(21)35-24-9-4-2-7-22(24)27)34-20-12-14-29(17-20)13-5-15-31-19-10-11-25-26(16-19)33-18-32-25;/h1-4,6-11,16,20,27H,5,12-15,17-18H2;1H