N-[(5-bromanyl-2-methoxy-phenyl)methyl]cyclohexanamine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]cyclohexanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]cyclohexanamine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]cyclohexanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]cyclohexanamine; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-cyclohexyl-amine; oxalic acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20BrNO.C2H2O4/c1-17-14-8-7-12(15)9-11(14)10-16-13-5-3-2-4-6-13;3-1(4)2(5)6/h7-9,13,16H,2-6,10H2,1H3;(H,3,4)(H,5,6)