ethyl 2,5,7-trimethyloxepine-4-carboxylate

Systemtic Name: ethyl 2,5,7-trimethyloxepine-4-carboxylate Openeye Name: ethyl 2,5,7-trimethyloxepine-4-carboxylate CAS Name: 2,5,7-trimethyl-4-oxepincarboxylic acid ethyl ester IUPAC Name: ethyl 2,5,7-trimethyloxepine-4-carboxylate Traditional Name: 2,5,7-trimethyloxepin-4-carboxylic acid ethyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(OC(=C1)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(OC(=C1)C)C)C

InChI

InChI=1S/C12H16O3/c1-5-14-12(13)11-7-10(4)15-9(3)6-8(11)2/h6-7H,5H2,1-4H3