ethanedioic acid; N-phenethyladamantan-2-amine

Systemtic Name: ethanedioic acid; N-phenethyladamantan-2-amine Openeye Name: oxalic acid; N-phenethyladamantan-2-amine CAS Name: oxalic acid; N-phenethyl-2-adamantanamine IUPAC Name: oxalic acid; N-phenethyladamantan-2-amine Traditional Name: 2-adamantyl(phenethyl)amine; oxalic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N.C2H2O4/c1-2-4-13(5-3-1)6-7-19-18-16-9-14-8-15(11-16)12-17(18)10-14;3-1(4)2(5)6/h1-5,14-19H,6-12H2;(H,3,4)(H,5,6)