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

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(propan-2-yloxymethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-5-(isopropoxymethyl)-4H-isoxazole-5-carboxylate CAS Name: 3-(3-cyanophenyl)-5-(propan-2-yloxymethyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(propan-2-yloxymethyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-(isopropoxymethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC(C)OCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C16H18N2O4/c1-11(2)21-10-16(15(19)20-3)8-14(18-22-16)13-6-4-5-12(7-13)9-17/h4-7,11H,8,10H2,1-3H3