(3S,5R)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3S,5R)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(4-ethoxy-3-methoxy-benzyl)amine Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)OC

InChI

InChI=1S/C22H33NO2/c1-5-25-18-7-6-16(8-19(18)24-4)12-23-22-11-17-9-20(2,14-22)13-21(3,10-17)15-22/h6-8,17,23H,5,9-15H2,1-4H3/t17?,20-,21+,22?