2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxy-N,N-diethyl-ethanamine; ethanedioate

Systemtic Name: 2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxy-N,N-diethyl-ethanamine; ethanedioate Openeye Name: 2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxy-N,N-diethyl-ethanamine; oxalate CAS Name: 2-[(2,2-dimethyl-6-pentyl-1-benzopyran-7-yl)oxy]-N,N-diethylethanamine; oxalate IUPAC Name: 2-(2,2-dimethyl-6-pentylchromen-7-yl)oxy-N,N-diethylethanamine; oxalate Traditional Name: 2-(6-amyl-2,2-dimethyl-chromen-7-yl)oxyethyl-diethyl-amine; oxalate Formula: C46H70N2O8-2 MolecularWeight: 779.0566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H35NO2.C2H2O4/c2*1-6-9-10-11-18-16-19-12-13-22(4,5)25-21(19)17-20(18)24-15-14-23(7-2)8-3;3-1(4)2(5)6/h2*12-13,16-17H,6-11,14-15H2,1-5H3;(H,3,4)(H,5,6)/p-2