ethanedioic acid; 2-methyl-N-[3-(4-phenylmethoxyphenoxy)propyl]propan-2-amine

Systemtic Name: ethanedioic acid; 2-methyl-N-[3-(4-phenylmethoxyphenoxy)propyl]propan-2-amine Openeye Name: N-[3-(4-benzyloxyphenoxy)propyl]-2-methyl-propan-2-amine; oxalic acid CAS Name: 2-methyl-N-[3-(4-phenylmethoxyphenoxy)propyl]-2-propanamine; oxalic acid IUPAC Name: 2-methyl-N-[3-(4-phenylmethoxyphenoxy)propyl]propan-2-amine; oxalic acid Traditional Name: 3-(4-benzoxyphenoxy)propyl-tert-butyl-amine; oxalic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO2.C2H2O4/c1-20(2,3)21-14-7-15-22-18-10-12-19(13-11-18)23-16-17-8-5-4-6-9-17;3-1(4)2(5)6/h4-6,8-13,21H,7,14-16H2,1-3H3;(H,3,4)(H,5,6)