dimethyl 2-[3-cyano-1-(triphenylmethyl)-4H-pyridin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[3-cyano-1-(triphenylmethyl)-4H-pyridin-4-yl]propanedioate Openeye Name: dimethyl 2-(3-cyano-1-trityl-4H-pyridin-4-yl)propanedioate CAS Name: 2-[3-cyano-1-(triphenylmethyl)-4H-pyridin-4-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-cyano-1-trityl-4H-pyridin-4-yl)propanedioate Traditional Name: 2-(3-cyano-1-trityl-4H-pyridin-4-yl)malonic acid dimethyl ester Formula: C30H26N2O4 MolecularWeight: 478.53844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1C=CN(C=C1C#N)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C(C1C=CN(C=C1C#N)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H26N2O4/c1-35-28(33)27(29(34)36-2)26-18-19-32(21-22(26)20-31)30(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,21,26-27H,1-2H3