1-[2-(2,2-dimethyl-5-pentyl-chromen-7-yl)oxyethyl]pyrrolidine; ethanedioic acid

Systemtic Name: 1-[2-(2,2-dimethyl-5-pentyl-chromen-7-yl)oxyethyl]pyrrolidine; ethanedioic acid Openeye Name: 1-[2-(2,2-dimethyl-5-pentyl-chromen-7-yl)oxyethyl]pyrrolidine; oxalic acid CAS Name: 1-[2-[(2,2-dimethyl-5-pentyl-1-benzopyran-7-yl)oxy]ethyl]pyrrolidine; oxalic acid IUPAC Name: 1-[2-(2,2-dimethyl-5-pentylchromen-7-yl)oxyethyl]pyrrolidine; oxalic acid Traditional Name: 1-[2-(5-amyl-2,2-dimethyl-chromen-7-yl)oxyethyl]pyrrolidine; oxalic acid Formula: C46H68N2O8 MolecularWeight: 777.04072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC2=C1C=CC(O2)(C)C)OCCN3CCCC3.CCCCCC1=CC(=CC2=C1C=CC(O2)(C)C)OCCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCC1=CC(=CC2=C1C=CC(O2)(C)C)OCCN3CCCC3.CCCCCC1=CC(=CC2=C1C=CC(O2)(C)C)OCCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/2C22H33NO2.C2H2O4/c2*1-4-5-6-9-18-16-19(24-15-14-23-12-7-8-13-23)17-21-20(18)10-11-22(2,3)25-21;3-1(4)2(5)6/h2*10-11,16-17H,4-9,12-15H2,1-3H3;(H,3,4)(H,5,6)