methyl 4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(1-benzotriazolyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-23-17(22)12-6-8-14(9-7-12)24-11-13(21)10-20-16-5-3-2-4-15(16)18-19-20/h2-9,13,21H,10-11H2,1H3/t13-/m1/s1