N-[(2,4-dimethoxyphenyl)methyl]adamantan-1-amine; ethanedioic acid

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]adamantan-1-amine; ethanedioic acid Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]adamantan-1-amine; oxalic acid CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-adamantanamine; oxalic acid IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl-(2,4-dimethoxybenzyl)amine; oxalic acid Formula: C21H29NO6 MolecularWeight: 391.45806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC23CC4CC(C2)CC(C4)C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNC23CC4CC(C2)CC(C4)C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27NO2.C2H2O4/c1-21-17-4-3-16(18(8-17)22-2)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19;3-1(4)2(5)6/h3-4,8,13-15,20H,5-7,9-12H2,1-2H3;(H,3,4)(H,5,6)