1-[3-(4-chloranyl-3-methyl-phenoxy)propyl]azepane; ethanedioic acid

Systemtic Name: 1-[3-(4-chloranyl-3-methyl-phenoxy)propyl]azepane; ethanedioic acid Openeye Name: 1-[3-(4-chloro-3-methyl-phenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(4-chloro-3-methylphenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(4-chloro-3-methylphenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(4-chloro-3-methyl-phenoxy)propyl]azepane; oxalic acid Formula: C18H26ClNO5 MolecularWeight: 371.85574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCN2CCCCCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCN2CCCCCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24ClNO.C2H2O4/c1-14-13-15(7-8-16(14)17)19-12-6-11-18-9-4-2-3-5-10-18;3-1(4)2(5)6/h7-8,13H,2-6,9-12H2,1H3;(H,3,4)(H,5,6)