ethyl 1-[(4-cyanophenyl)methyl]-3-oxidanylidene-4-oxaspiro[4.5]dec-1-ene-2-carboxylate

Systemtic Name: ethyl 1-[(4-cyanophenyl)methyl]-3-oxidanylidene-4-oxaspiro[4.5]dec-1-ene-2-carboxylate Openeye Name: ethyl 1-[(4-cyanophenyl)methyl]-3-oxo-4-oxaspiro[4.5]dec-1-ene-2-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-3-oxo-4-oxaspiro[4.5]dec-1-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-cyanophenyl)methyl]-3-oxo-4-oxaspiro[4.5]dec-1-ene-2-carboxylate Traditional Name: 1-(4-cyanobenzyl)-3-keto-4-oxaspiro[4.5]dec-1-ene-2-carboxylic acid ethyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2(CCCCC2)OC1=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2(CCCCC2)OC1=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21NO4/c1-2-24-18(22)17-16(12-14-6-8-15(13-21)9-7-14)20(25-19(17)23)10-4-3-5-11-20/h6-9H,2-5,10-12H2,1H3