N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromanyl-1-adamantyl)methylamino]ethanamide; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromanyl-1-adamantyl)methylamino]ethanamide; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromo-1-adamantyl)methylamino]acetamide; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromo-1-adamantyl)methylamino]acetamide; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromo-1-adamantyl)methylamino]acetamide; oxalic acid Traditional Name: 2-[(3-bromo-1-adamantyl)methylamino]-N-piperonyl-acetamide; oxalic acid Formula: C23H29BrN2O7 MolecularWeight: 525.38956

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CNCC(=O)NCC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CNCC(=O)NCC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27BrN2O3.C2H2O4/c22-21-7-15-3-16(8-21)6-20(5-15,11-21)12-23-10-19(25)24-9-14-1-2-17-18(4-14)27-13-26-17;3-1(4)2(5)6/h1-2,4,15-16,23H,3,5-13H2,(H,24,25);(H,3,4)(H,5,6)