1-[4-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(1-benzotriazolyl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN2C3=CC=CC=C3N=N2)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](CN2C3=CC=CC=C3N=N2)O)OC

InChI

InChI=1S/C18H19N3O4/c1-12(22)13-7-8-17(18(9-13)24-2)25-11-14(23)10-21-16-6-4-3-5-15(16)19-20-21/h3-9,14,23H,10-11H2,1-2H3/t14-/m0/s1