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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]cycloheptanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]cycloheptanamine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-cycloheptyl-amine; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c1-18-15-9-8-13(16)10-12(15)11-17-14-6-4-2-3-5-7-14;3-1(4)2(5)6/h8-10,14,17H,2-7,11H2,1H3;(H,3,4)(H,5,6)