4-ethynyl-3-[(phenylmethyl)amino]heptan-2-ol

Systemtic Name: 4-ethynyl-3-[(phenylmethyl)amino]heptan-2-ol Openeye Name: 3-(benzylamino)-4-ethynyl-heptan-2-ol CAS Name: 4-ethynyl-3-[(phenylmethyl)amino]-2-heptanol IUPAC Name: 3-(benzylamino)-4-ethynylheptan-2-ol Traditional Name: 3-(benzylamino)-4-propyl-hex-5-yn-2-ol Formula: C16H23NO MolecularWeight: 245.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)C(C(C)O)NCC1=CC=CC=C1

Isomeric SMILES

CCCC(C#C)C(C(C)O)NCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO/c1-4-9-15(5-2)16(13(3)18)17-12-14-10-7-6-8-11-14/h2,6-8,10-11,13,15-18H,4,9,12H2,1,3H3