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

Systemtic Name: 2-[2-(2-tert-butyl-4-chloranyl-phenoxy)ethoxy]-N-(phenylmethyl)ethanamine; ethanedioic acid Openeye Name: N-benzyl-2-[2-(2-tert-butyl-4-chloro-phenoxy)ethoxy]ethanamine; oxalic acid CAS Name: 2-[2-(2-tert-butyl-4-chlorophenoxy)ethoxy]-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-[2-(2-tert-butyl-4-chlorophenoxy)ethoxy]ethanamine; oxalic acid Traditional Name: benzyl-[2-[2-(2-tert-butyl-4-chloro-phenoxy)ethoxy]ethyl]amine; oxalic acid Formula: C23H30ClNO6 MolecularWeight: 451.9404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCOCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCOCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28ClNO2.C2H2O4/c1-21(2,3)19-15-18(22)9-10-20(19)25-14-13-24-12-11-23-16-17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,15,23H,11-14,16H2,1-3H3;(H,3,4)(H,5,6)