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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)COCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

InChI

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