ethyl 1-[6-(4-cyclopentylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-cyclopentylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-cyclopentylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-cyclopentylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-cyclopentylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-cyclopentylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-2-31-23(28)18-11-13-26(14-12-18)21-20(27(29)30)22(25-15-24-21)32-19-9-7-17(8-10-19)16-5-3-4-6-16/h7-10,15-16,18H,2-6,11-14H2,1H3