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

Systemtic Name: (3S,5R)-3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine Openeye Name: (3S,5R)-3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine CAS Name: (3S,5R)-3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-adamantanamine IUPAC Name: (3S,5R)-3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(3,4,5-trimethoxybenzyl)amine Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)OC)OC)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)OC)OC)OC)C

InChI

InChI=1S/C22H33NO3/c1-20-8-16-9-21(2,12-20)14-22(10-16,13-20)23-11-15-6-17(24-3)19(26-5)18(7-15)25-4/h6-7,16,23H,8-14H2,1-5H3/t16?,20-,21+,22?