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

Systemtic Name: (3S,5R)-N-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(3-methoxy-4-phenethyloxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(3-methoxy-4-phenethyloxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(3-methoxy-4-phenethyloxy-benzyl)amine Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C=C4)OCCC5=CC=CC=C5)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC(=C(C=C4)OCCC5=CC=CC=C5)OC)C

InChI

InChI=1S/C28H37NO2/c1-26-14-23-15-27(2,18-26)20-28(16-23,19-26)29-17-22-9-10-24(25(13-22)30-3)31-12-11-21-7-5-4-6-8-21/h4-10,13,23,29H,11-12,14-20H2,1-3H3/t23?,26-,27+,28?