1-[2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxyethyl]pyrrolidine; ethanedioate

Systemtic Name: 1-[2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxyethyl]pyrrolidine; ethanedioate Openeye Name: 1-[2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxyethyl]pyrrolidine; oxalate CAS Name: 1-[2-[(2,2-dimethyl-6-pentyl-1-benzopyran-7-yl)oxy]ethyl]pyrrolidine; oxalate IUPAC Name: 1-[2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl]pyrrolidine; oxalate Traditional Name: 1-[2-(6-amyl-2,2-dimethyl-chromen-7-yl)oxyethyl]pyrrolidine; oxalate Formula: C46H66N2O8-2 MolecularWeight: 775.02484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN3CCCC3.CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN3CCCC3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN3CCCC3.CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCCN3CCCC3.C(=O)(C(=O)[O-])[O-]

InChI

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