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

Systemtic Name: tert-butyl 3-[4-[2-(5-cyano-3-ethoxycarbonyl-1-benzofuran-2-yl)ethyl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-(5-cyano-3-ethoxycarbonyl-benzofuran-2-yl)ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[2-(5-cyano-3-ethoxycarbonyl-2-benzofuranyl)ethyl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(5-cyano-3-ethoxycarbonyl-1-benzofuran-2-yl)ethyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[2-(3-carbethoxy-5-cyano-benzofuran-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(OC2=C1C=C(C=C2)C#N)CCC3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)C#N)CCC3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

InChI

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