methyl 3-[(2S)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]naphthalene-2-carboxylate

Systemtic Name: methyl 3-[(2S)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]naphthalene-2-carboxylate Openeye Name: methyl 3-[(2S)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]naphthalene-2-carboxylate CAS Name: 3-[(2S)-3-(1-benzimidazolyl)-2-hydroxypropoxy]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]naphthalene-2-carboxylate Traditional Name: 3-[(2S)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]naphthalene-2-carboxylic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C=C1OCC(CN3C=NC4=CC=CC=C43)O

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1OC[C@H](CN3C=NC4=CC=CC=C43)O

InChI

InChI=1S/C22H20N2O4/c1-27-22(26)18-10-15-6-2-3-7-16(15)11-21(18)28-13-17(25)12-24-14-23-19-8-4-5-9-20(19)24/h2-11,14,17,25H,12-13H2,1H3/t17-/m0/s1