hept-1-ynyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: hept-1-ynyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: hept-1-ynyl 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid hept-1-ynyl ester IUPAC Name: hept-1-ynyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid hept-1-ynyl ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#COC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCCC#COC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C

InChI

InChI=1S/C18H18ClNO3/c1-3-4-5-6-9-12-22-18(21)16-13(2)23-20-17(16)14-10-7-8-11-15(14)19/h7-8,10-11H,3-6H2,1-2H3