1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]azepane; ethanedioic acid

Systemtic Name: 1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]azepane; ethanedioic acid Openeye Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]azepane; oxalic acid Formula: C19H28BrNO5 MolecularWeight: 430.33332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26BrNO.C2H2O4/c1-15-14-16(18)8-9-17(15)20-13-7-6-12-19-10-4-2-3-5-11-19;3-1(4)2(5)6/h8-9,14H,2-7,10-13H2,1H3;(H,3,4)(H,5,6)