tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-3-ethoxycarbonyl-phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-3-ethoxycarbonyl-phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-(5-cyanobenzofuran-2-yl)ethyl]-3-ethoxycarbonyl-phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[2-(5-cyano-2-benzofuranyl)ethyl]-3-ethoxycarbonylphenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-3-ethoxycarbonylphenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[3-carbethoxy-4-[2-(5-cyanobenzofuran-2-yl)ethyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)OC2CCN(C2)C(=O)OC(C)(C)C)CCC3=CC4=C(O3)C=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)OC2CCN(C2)C(=O)OC(C)(C)C)CCC3=CC4=C(O3)C=CC(=C4)C#N

InChI

InChI=1S/C29H32N2O6/c1-5-34-27(32)25-16-23(35-24-12-13-31(18-24)28(33)37-29(2,3)4)10-8-20(25)7-9-22-15-21-14-19(17-30)6-11-26(21)36-22/h6,8,10-11,14-16,24H,5,7,9,12-13,18H2,1-4H3