1-[1-(1-adamantyl)propylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[1-(1-adamantyl)propylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[1-(1-adamantyl)propylamino]-3-(2-isopropylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[1-(1-adamantyl)propylamino]-3-(2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[1-(1-adamantyl)propylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[1-(1-adamantyl)propylamino]-3-(2-isopropylphenoxy)propan-2-ol; oxalic acid Formula: C27H41NO6 MolecularWeight: 475.61754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NCC(COC4=CC=CC=C4C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NCC(COC4=CC=CC=C4C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H39NO2.C2H2O4/c1-4-24(25-12-18-9-19(13-25)11-20(10-18)14-25)26-15-21(27)16-28-23-8-6-5-7-22(23)17(2)3;3-1(4)2(5)6/h5-8,17-21,24,26-27H,4,9-16H2,1-3H3;(H,3,4)(H,5,6)