(1S,2R)-N-[(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-methyl-cyclohexan-1-amine

Systemtic Name: (1S,2R)-N-[(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-methyl-cyclohexan-1-amine Openeye Name: (1S,2R)-N-[(3-iodo-4-isopropoxy-5-methoxy-phenyl)methyl]-2-methyl-cyclohexanamine CAS Name: (1S,2R)-N-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyl-1-cyclohexanamine IUPAC Name: (1S,2R)-N-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylcyclohexan-1-amine Traditional Name: (3-iodo-4-isopropoxy-5-methoxy-benzyl)-[(1S,2R)-2-methylcyclohexyl]amine Formula: C18H28INO2 MolecularWeight: 417.32489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC2=CC(=C(C(=C2)I)OC(C)C)OC

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NCC2=CC(=C(C(=C2)I)OC(C)C)OC

InChI

InChI=1S/C18H28INO2/c1-12(2)22-18-15(19)9-14(10-17(18)21-4)11-20-16-8-6-5-7-13(16)3/h9-10,12-13,16,20H,5-8,11H2,1-4H3/t13-,16+/m1/s1