propyl (2S)-2-(benzotriazol-1-yl)-2-phenyl-ethanoate

Systemtic Name: propyl (2S)-2-(benzotriazol-1-yl)-2-phenyl-ethanoate Openeye Name: propyl (2S)-2-(benzotriazol-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(1-benzotriazolyl)-2-phenylacetic acid propyl ester IUPAC Name: propyl (2S)-2-(benzotriazol-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-phenyl-acetic acid propyl ester Formula: C17H17N3O2 MolecularWeight: 295.33578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCOC(=O)[C@H](C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H17N3O2/c1-2-12-22-17(21)16(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18-19-20/h3-11,16H,2,12H2,1H3/t16-/m0/s1