2-(2-tert-butyl-4-chloranyl-phenoxy)-N-(phenylmethyl)ethanamine; ethanedioic acid

Systemtic Name: 2-(2-tert-butyl-4-chloranyl-phenoxy)-N-(phenylmethyl)ethanamine; ethanedioic acid Openeye Name: N-benzyl-2-(2-tert-butyl-4-chloro-phenoxy)ethanamine; oxalic acid CAS Name: 2-(2-tert-butyl-4-chlorophenoxy)-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-(2-tert-butyl-4-chlorophenoxy)ethanamine; oxalic acid Traditional Name: benzyl-[2-(2-tert-butyl-4-chloro-phenoxy)ethyl]amine; oxalic acid Formula: C21H26ClNO5 MolecularWeight: 407.88784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24ClNO.C2H2O4/c1-19(2,3)17-13-16(20)9-10-18(17)22-12-11-21-14-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-10,13,21H,11-12,14H2,1-3H3;(H,3,4)(H,5,6)