O4-ethyl O2-[(1S)-2-oxidanylidenecyclohexyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[(1S)-2-oxidanylidenecyclohexyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[(1S)-2-oxocyclohexyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(1S)-2-oxocyclohexyl] ester IUPAC Name: 4-O-ethyl 2-O-[(1S)-2-oxocyclohexyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(1S)-2-ketocyclohexyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC2CCCCC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@H]2CCCCC2=O)C

InChI

InChI=1S/C16H21NO5/c1-4-21-15(19)13-9(2)14(17-10(13)3)16(20)22-12-8-6-5-7-11(12)18/h12,17H,4-8H2,1-3H3/t12-/m0/s1