ethanedioic acid; N-[(3-ethoxy-4-methoxy-phenyl)methyl]adamantan-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2C3CC4CC(C3)CC2C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2C3CC4CC(C3)CC2C4)OC.C(=O)(C(=O)O)O

InChI

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