N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]adamantan-1-amine; ethanedioic acid

Systemtic Name: N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]adamantan-1-amine; ethanedioic acid Openeye Name: N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]adamantan-1-amine; oxalic acid CAS Name: N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-adamantanamine; oxalic acid IUPAC Name: N-[(2,4-dimethoxy-3-methylphenyl)methyl]adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl-(2,4-dimethoxy-3-methyl-benzyl)amine; oxalic acid Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CNC23CC4CC(C2)CC(C4)C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1OC)CNC23CC4CC(C2)CC(C4)C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NO2.C2H2O4/c1-13-18(22-2)5-4-17(19(13)23-3)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;3-1(4)2(5)6/h4-5,14-16,21H,6-12H2,1-3H3;(H,3,4)(H,5,6)