O1'-[(4-cyanophenyl)methyl] O1-methyl 2-oxidanylidenecyclohexane-1,1-dicarboxylate

Systemtic Name: O1'-[(4-cyanophenyl)methyl] O1-methyl 2-oxidanylidenecyclohexane-1,1-dicarboxylate Openeye Name: O1'-[(4-cyanophenyl)methyl] O1-methyl 2-oxocyclohexane-1,1-dicarboxylate CAS Name: 2-oxocyclohexane-1,1-dicarboxylic acid O1'-[(4-cyanophenyl)methyl] ester O1-methyl ester IUPAC Name: 1-O'-[(4-cyanophenyl)methyl] 1-O-methyl 2-oxocyclohexane-1,1-dicarboxylate Traditional Name: 2-ketocyclohexane-1,1-dicarboxylic acid O1'-(4-cyanobenzyl) ester O1-methyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1=O)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1(CCCCC1=O)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17NO5/c1-22-15(20)17(9-3-2-4-14(17)19)16(21)23-11-13-7-5-12(10-18)6-8-13/h5-8H,2-4,9,11H2,1H3