(3R,5S)-N-[(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3R,5S)-N-[(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3R,5S)-N-[(5-bromo-2-ethoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3R,5S)-N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3R,5S)-N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (5-bromo-2-ethoxy-3-methoxy-benzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]amine Formula: C22H32BrNO2 MolecularWeight: 422.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNC23CC4CC(C2)(CC(C4)(C3)C)C)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1CNC23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)Br)OC

InChI

InChI=1S/C22H32BrNO2/c1-5-26-19-16(6-17(23)7-18(19)25-4)11-24-22-10-15-8-20(2,13-22)12-21(3,9-15)14-22/h6-7,15,24H,5,8-14H2,1-4H3/t15?,20-,21+,22?