ethanedioic acid; N-[(3-ethoxy-4-methoxy-phenyl)methyl]adamantan-1-amine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OC.C(=O)(C(=O)O)O

InChI

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