N-[(3,4-dimethoxyphenyl)methyl]adamantan-1-amine; ethanedioic acid

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]adamantan-1-amine; ethanedioic acid Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]adamantan-1-amine; oxalic acid CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-adamantanamine; oxalic acid IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl(veratryl)amine; oxalic acid Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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