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

Systemtic Name: ethanedioic acid; N-[(2,3,4-trimethoxyphenyl)methyl]adamantan-1-amine Openeye Name: oxalic acid; N-[(2,3,4-trimethoxyphenyl)methyl]adamantan-1-amine CAS Name: oxalic acid; N-[(2,3,4-trimethoxyphenyl)methyl]-1-adamantanamine IUPAC Name: oxalic acid; N-[(2,3,4-trimethoxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-(2,3,4-trimethoxybenzyl)amine; oxalic acid Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3.C2H2O4/c1-22-17-5-4-16(18(23-2)19(17)24-3)12-21-20-9-13-6-14(10-20)8-15(7-13)11-20;3-1(4)2(5)6/h4-5,13-15,21H,6-12H2,1-3H3;(H,3,4)(H,5,6)