N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-methyl-cyclohexanamine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclohexan-1-amine; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-(2-methylcyclohexyl)amine; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC2=C(C=CC(=C2)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC2=C(C=CC(=C2)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c1-11-5-3-4-6-14(11)17-10-12-9-13(16)7-8-15(12)18-2;3-1(4)2(5)6/h7-9,11,14,17H,3-6,10H2,1-2H3;(H,3,4)(H,5,6)