(1R,2S,3S)-1-(benzotriazol-1-yl)-3-ethyl-1-phenoxy-heptan-2-ol

Systemtic Name: (1R,2S,3S)-1-(benzotriazol-1-yl)-3-ethyl-1-phenoxy-heptan-2-ol Openeye Name: (1R,2S,3S)-1-(benzotriazol-1-yl)-3-ethyl-1-phenoxy-heptan-2-ol CAS Name: (1R,2S,3S)-1-(1-benzotriazolyl)-3-ethyl-1-phenoxy-2-heptanol IUPAC Name: (1R,2S,3S)-1-(benzotriazol-1-yl)-3-ethyl-1-phenoxyheptan-2-ol Traditional Name: (1R,2S,3S)-1-(benzotriazol-1-yl)-3-ethyl-1-phenoxy-heptan-2-ol Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3)O

Isomeric SMILES

CCCC[C@H](CC)[C@@H]([C@H](N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H27N3O2/c1-3-5-11-16(4-2)20(25)21(26-17-12-7-6-8-13-17)24-19-15-10-9-14-18(19)22-23-24/h6-10,12-16,20-21,25H,3-5,11H2,1-2H3/t16-,20-,21+/m0/s1