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

Systemtic Name: 4-[[3-(phenylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxylic acid Openeye Name: 4-[(3-benzyl-4,5-dihydroisoxazol-5-yl)methyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[3-(phenylmethyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]oxane-4-carboxylic acid Traditional Name: 4-[(3-benzyl-2-isoxazolin-5-yl)methyl]tetrahydropyran-4-carboxylic acid Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CC2CC(=NO2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1COCCC1(CC2CC(=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)