1-(1-adamantylmethylamino)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1-adamantylmethylamino)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(1-adamantylmethylamino)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-(1-adamantylmethylamino)-3-(2-tert-butyl-4-methoxyphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(1-adamantylmethylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(1-adamantylmethylamino)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol; oxalic acid Formula: C27H41NO7 MolecularWeight: 491.61694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H39NO3.C2H2O4/c1-24(2,3)22-10-21(28-4)5-6-23(22)29-15-20(27)14-26-16-25-11-17-7-18(12-25)9-19(8-17)13-25;3-1(4)2(5)6/h5-6,10,17-20,26-27H,7-9,11-16H2,1-4H3;(H,3,4)(H,5,6)