methyl 4-oct-2-ynyl-5-oxidanylidene-2-phenyl-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 4-oct-2-ynyl-5-oxidanylidene-2-phenyl-1,3-oxazole-4-carboxylate Openeye Name: methyl 4-oct-2-ynyl-5-oxo-2-phenyl-oxazole-4-carboxylate CAS Name: 4-oct-2-ynyl-5-oxo-2-phenyl-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 4-oct-2-ynyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate Traditional Name: 5-keto-4-oct-2-ynyl-2-phenyl-2-oxazoline-4-carboxylic acid methyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC1(C(=O)OC(=N1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCC#CCC1(C(=O)OC(=N1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H21NO4/c1-3-4-5-6-7-11-14-19(17(21)23-2)18(22)24-16(20-19)15-12-9-8-10-13-15/h8-10,12-13H,3-6,14H2,1-2H3