1-[3-(4-chloranyl-3-methyl-phenoxy)propylamino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(4-chloranyl-3-methyl-phenoxy)propylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(4-chloro-3-methyl-phenoxy)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(4-chloro-3-methylphenoxy)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(4-chloro-3-methylphenoxy)propylamino]propan-2-ol; oxalic acid Traditional Name: 1-[3-(4-chloro-3-methyl-phenoxy)propylamino]propan-2-ol; oxalic acid Formula: C15H22ClNO6 MolecularWeight: 347.79128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO2.C2H2O4/c1-10-8-12(4-5-13(10)14)17-7-3-6-15-9-11(2)16;3-1(4)2(5)6/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3;(H,3,4)(H,5,6)