(5-ethanoyl-2-ethoxy-phenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O4/c1-3-29-21-6-5-19(16(2)27)12-20(21)15-30-23(28)18-8-10-26(11-9-18)22-7-4-17(13-24)14-25-22/h4-7,12,14,18H,3,8-11,15H2,1-2H3