4-[[(5S)-3-(phenylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxylate

Systemtic Name: 4-[[(5S)-3-(phenylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxylate Openeye Name: 4-[[(5S)-3-benzyl-4,5-dihydroisoxazol-5-yl]methyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[(5S)-3-(phenylmethyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-oxanecarboxylate IUPAC Name: 4-[[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxylate Traditional Name: 4-[[(5S)-3-benzyl-2-isoxazolin-5-yl]methyl]tetrahydropyran-4-carboxylate Formula: C17H20NO4- MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CC2CC(=NO2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1COCCC1(C[C@H]2CC(=NO2)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H21NO4/c19-16(20)17(6-8-21-9-7-17)12-15-11-14(18-22-15)10-13-4-2-1-3-5-13/h1-5,15H,6-12H2,(H,19,20)/p-1/t15-/m1/s1