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4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name:4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]benzenecarbonitrile
Openeye Name:4-[(2S)-3-(1-adamantylamino)-2-hydroxy-propoxy]benzonitrile
CAS Name:4-[(2S)-3-(1-adamantylamino)-2-hydroxypropoxy]benzonitrile
IUPAC Name:4-[(2S)-3-(1-adamantylamino)-2-hydroxypropoxy]benzonitrile
Traditional Name:4-[(2S)-3-(1-adamantylamino)-2-hydroxy-propoxy]benzonitrile
Formula: C20H26N2O2
MolecularWeight: 326.43264
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC(COC4=CC=C(C=C4)C#N)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC[C@@H](COC4=CC=C(C=C4)C#N)O


InChI

InChI=1S/C20H26N2O2/c21-11-14-1-3-19(4-2-14)24-13-18(23)12-22-20-8-15-5-16(9-20)7-17(6-15)10-20/h1-4,15-18,22-23H,5-10,12-13H2/t15?,16?,17?,18-,20?/m0/s1


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