1-[2-(4-chloranyl-2-methyl-phenoxy)ethyl]azepane; ethanedioic acid

Systemtic Name: 1-[2-(4-chloranyl-2-methyl-phenoxy)ethyl]azepane; ethanedioic acid Openeye Name: 1-[2-(4-chloro-2-methyl-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(4-chloro-2-methylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(4-chloro-2-methylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(4-chloro-2-methyl-phenoxy)ethyl]azepane; oxalic acid Formula: C17H24ClNO5 MolecularWeight: 357.82916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22ClNO.C2H2O4/c1-13-12-14(16)6-7-15(13)18-11-10-17-8-4-2-3-5-9-17;3-1(4)2(5)6/h6-7,12H,2-5,8-11H2,1H3;(H,3,4)(H,5,6)