ethanedioic acid; N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-2-amine

Systemtic Name: ethanedioic acid; N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-2-amine Openeye Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-2-amine CAS Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]-2-adamantanamine IUPAC Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-2-amine Traditional Name: 2-adamantyl-(2,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2C3CC4CC(C3)CC2C4)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CNC2C3CC4CC(C3)CC2C4)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NO3.C2H2O4/c1-22-17-10-19(24-3)18(23-2)9-16(17)11-21-20-14-5-12-4-13(7-14)8-15(20)6-12;3-1(4)2(5)6/h9-10,12-15,20-21H,4-8,11H2,1-3H3;(H,3,4)(H,5,6)