ethyl 1-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O3/c1-3-34-23-12-10-22(11-13-23)32-18-24(20-8-6-5-7-9-20)25-26(29-19-30-27(25)32)31-16-14-21(15-17-31)28(33)35-4-2/h5-13,18-19,21H,3-4,14-17H2,1-2H3