2-[3-(4-chloranyl-2-methyl-phenoxy)propylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[3-(4-chloranyl-2-methyl-phenoxy)propylamino]ethanol; ethanedioic acid Openeye Name: 2-[3-(4-chloro-2-methyl-phenoxy)propylamino]ethanol; oxalic acid CAS Name: 2-[3-(4-chloro-2-methylphenoxy)propylamino]ethanol; oxalic acid IUPAC Name: 2-[3-(4-chloro-2-methylphenoxy)propylamino]ethanol; oxalic acid Traditional Name: 2-[3-(4-chloro-2-methyl-phenoxy)propylamino]ethanol; oxalic acid Formula: C14H20ClNO6 MolecularWeight: 333.7647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18ClNO2.C2H2O4/c1-10-9-11(13)3-4-12(10)16-8-2-5-14-6-7-15;3-1(4)2(5)6/h3-4,9,14-15H,2,5-8H2,1H3;(H,3,4)(H,5,6)