(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]ethanamine

Systemtic Name: (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(4-benzoxy-3-ethoxy-benzyl)amine Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN[C@H](C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

InChI

InChI=1S/C28H37NO2/c1-3-30-27-14-22(9-10-26(27)31-19-21-7-5-4-6-8-21)18-29-20(2)28-15-23-11-24(16-28)13-25(12-23)17-28/h4-10,14,20,23-25,29H,3,11-13,15-19H2,1-2H3/t20-,23?,24?,25?,28?/m1/s1