methyl 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-5-(isopentyloxymethyl)-4H-isoxazole-5-carboxylate CAS Name: 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(3-methylbutoxymethyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-(isoamoxymethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-13(2)7-8-23-12-18(17(21)22-3)10-16(20-24-18)15-6-4-5-14(9-15)11-19/h4-6,9,13H,7-8,10,12H2,1-3H3