(4-cyano-2-methoxy-phenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 6-keto-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)nipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC3=C(C=C(C=C3)C#N)OC)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC3=C(C=C(C=C3)C#N)OC)C4=CC=CC=C4OC

InChI

InChI=1S/C28H26N2O6/c1-33-20-11-9-19(10-12-20)30-26(31)15-13-22(27(30)21-6-4-5-7-23(21)34-2)28(32)36-24-14-8-18(17-29)16-25(24)35-3/h4-12,14,16,22,27H,13,15H2,1-3H3