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

Systemtic Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(octylamino)propan-2-ol Openeye Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(octylamino)propan-2-ol CAS Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(octylamino)-2-propanol IUPAC Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(octylamino)propan-2-ol Traditional Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(octylamino)propan-2-ol Formula: C29H47NO2 MolecularWeight: 441.68898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47NO2/c1-4-5-6-7-8-9-14-30-18-25(31)19-32-26-12-10-24(11-13-26)29-17-23-15-27(2,21-29)20-28(3,16-23)22-29/h10-13,23,25,30-31H,4-9,14-22H2,1-3H3/t23?,25?,27-,28+,29?