1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(hexylamino)propan-2-ol

Systemtic Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(hexylamino)propan-2-ol Openeye Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(hexylamino)propan-2-ol CAS Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(hexylamino)-2-propanol IUPAC Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(hexylamino)propan-2-ol Traditional Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(hexylamino)propan-2-ol Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC(COC1=CC=C(C=C1)C23CC4CC(C2)(CC(C4)(C3)C)C)O

Isomeric SMILES

CCCCCCNCC(COC1=CC=C(C=C1)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)O

InChI

InChI=1S/C27H43NO2/c1-4-5-6-7-12-28-16-23(29)17-30-24-10-8-22(9-11-24)27-15-21-13-25(2,19-27)18-26(3,14-21)20-27/h8-11,21,23,28-29H,4-7,12-20H2,1-3H3/t21?,23?,25-,26+,27?