1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid

Systemtic Name: 1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid Openeye Name: 1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid CAS Name: 1-butyl-1-(3-pyrrolidinyl)-9-xanthenecarboxylic acid IUPAC Name: 1-butyl-1-pyrrolidin-3-ylxanthene-9-carboxylic acid Traditional Name: 1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=C2C1=C(C3=CC=CC=C3O2)C(=O)O)C4CCNC4

Isomeric SMILES

CCCCC1(C=CC=C2C1=C(C3=CC=CC=C3O2)C(=O)O)C4CCNC4

InChI

InChI=1S/C22H25NO3/c1-2-3-11-22(15-10-13-23-14-15)12-6-9-18-20(22)19(21(24)25)16-7-4-5-8-17(16)26-18/h4-9,12,15,23H,2-3,10-11,13-14H2,1H3,(H,24,25)