1-(1-adamantylmethylamino)-3-[(2-methoxyphenyl)methoxy]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1-adamantylmethylamino)-3-[(2-methoxyphenyl)methoxy]propan-2-ol; ethanedioic acid Openeye Name: 1-(1-adamantylmethylamino)-3-[(2-methoxyphenyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-(1-adamantylmethylamino)-3-[(2-methoxyphenyl)methoxy]-2-propanol; oxalic acid IUPAC Name: 1-(1-adamantylmethylamino)-3-[(2-methoxyphenyl)methoxy]propan-2-ol; oxalic acid Traditional Name: 1-(1-adamantylmethylamino)-3-o-anisyloxy-propan-2-ol; oxalic acid Formula: C24H35NO7 MolecularWeight: 449.5372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1COCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H33NO3.C2H2O4/c1-25-21-5-3-2-4-19(21)13-26-14-20(24)12-23-15-22-9-16-6-17(10-22)8-18(7-16)11-22;3-1(4)2(5)6/h2-5,16-18,20,23-24H,6-15H2,1H3;(H,3,4)(H,5,6)