1-(1-adamantylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1-adamantylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(1-adamantylmethylamino)-3-(2-thienylmethoxy)propan-2-ol; oxalic acid CAS Name: 1-(1-adamantylmethylamino)-3-(thiophen-2-ylmethoxy)-2-propanol; oxalic acid IUPAC Name: 1-(1-adamantylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol; oxalic acid Traditional Name: 1-(1-adamantylmethylamino)-3-(2-thenyloxy)propan-2-ol; oxalic acid Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNCC(COCC4=CC=CS4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNCC(COCC4=CC=CS4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO2S.C2H2O4/c21-17(11-22-12-18-2-1-3-23-18)10-20-13-19-7-14-4-15(8-19)6-16(5-14)9-19;3-1(4)2(5)6/h1-3,14-17,20-21H,4-13H2;(H,3,4)(H,5,6)