3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-5-(isopentyloxymethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-(isoamoxymethyl)-2-isoxazoline-5-carboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC(C)CCOCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-12(2)6-7-22-11-17(16(20)21)9-15(19-23-17)14-5-3-4-13(8-14)10-18/h3-5,8,12H,6-7,9,11H2,1-2H3,(H,20,21)