ethanedioic acid; 2-methyl-3-(5-methyl-2-propan-2-yl-phenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

Systemtic Name: ethanedioic acid; 2-methyl-3-(5-methyl-2-propan-2-yl-phenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine Openeye Name: 3-(2-isopropyl-5-methyl-phenoxy)-2-methyl-N-(tetrahydrofuran-2-ylmethyl)propan-1-amine; oxalic acid CAS Name: 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-oxolanylmethyl)-1-propanamine; oxalic acid IUPAC Name: 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine; oxalic acid Traditional Name: [3-(2-isopropyl-5-methyl-phenoxy)-2-methyl-propyl]-(tetrahydrofurfuryl)amine; oxalic acid Formula: C21H33NO6 MolecularWeight: 395.48982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C)CNCC2CCCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(C)CNCC2CCCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31NO2.C2H2O4/c1-14(2)18-8-7-15(3)10-19(18)22-13-16(4)11-20-12-17-6-5-9-21-17;3-1(4)2(5)6/h7-8,10,14,16-17,20H,5-6,9,11-13H2,1-4H3;(H,3,4)(H,5,6)