4-[2-[3-(3-azanyl-1-deuterio-1-oxidanyl-propyl)phenyl]ethynyl]heptan-4-ol

Systemtic Name: 4-[2-[3-(3-azanyl-1-deuterio-1-oxidanyl-propyl)phenyl]ethynyl]heptan-4-ol Openeye Name: 4-[2-[3-(3-amino-1-deuterio-1-hydroxy-propyl)phenyl]ethynyl]heptan-4-ol CAS Name: 4-[2-[3-(3-amino-1-deuterio-1-hydroxypropyl)phenyl]ethynyl]-4-heptanol IUPAC Name: 4-[2-[3-(3-amino-1-deuterio-1-hydroxypropyl)phenyl]ethynyl]heptan-4-ol Traditional Name: 1-[3-(3-amino-1-deuterio-1-hydroxy-propyl)phenyl]-3-propyl-hex-1-yn-3-ol Formula: C18H27NO2 MolecularWeight: 290.418642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#CC1=CC(=CC=C1)C(CCN)O)O

Isomeric SMILES

[2H]C(CCN)(C1=CC=CC(=C1)C#CC(CCC)(CCC)O)O

InChI

InChI=1S/C18H27NO2/c1-3-10-18(21,11-4-2)12-8-15-6-5-7-16(14-15)17(20)9-13-19/h5-7,14,17,20-21H,3-4,9-11,13,19H2,1-2H3/i17D