4-[2-[3-(2-azanylethoxy)phenyl]ethynyl]heptan-4-ol

Systemtic Name: 4-[2-[3-(2-azanylethoxy)phenyl]ethynyl]heptan-4-ol Openeye Name: 4-[2-[3-(2-aminoethoxy)phenyl]ethynyl]heptan-4-ol CAS Name: 4-[2-[3-(2-aminoethoxy)phenyl]ethynyl]-4-heptanol IUPAC Name: 4-[2-[3-(2-aminoethoxy)phenyl]ethynyl]heptan-4-ol Traditional Name: 1-[3-(2-aminoethoxy)phenyl]-3-propyl-hex-1-yn-3-ol Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-3-9-17(19,10-4-2)11-8-15-6-5-7-16(14-15)20-13-12-18/h5-7,14,19H,3-4,9-10,12-13,18H2,1-2H3