butyl (E,4R)-4-(benzotriazol-1-yl)-6-ethoxy-hex-5-enoate

Systemtic Name: butyl (E,4R)-4-(benzotriazol-1-yl)-6-ethoxy-hex-5-enoate Openeye Name: butyl (E,4R)-4-(benzotriazol-1-yl)-6-ethoxy-hex-5-enoate CAS Name: (E,4R)-4-(1-benzotriazolyl)-6-ethoxy-5-hexenoic acid butyl ester IUPAC Name: butyl (E,4R)-4-(benzotriazol-1-yl)-6-ethoxyhex-5-enoate Traditional Name: (E,4R)-4-(benzotriazol-1-yl)-6-ethoxy-hex-5-enoic acid butyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC(C=COCC)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CCCCOC(=O)CC[C@H](/C=C/OCC)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C18H25N3O3/c1-3-5-13-24-18(22)11-10-15(12-14-23-4-2)21-17-9-7-6-8-16(17)19-20-21/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3/b14-12+/t15-/m1/s1