tert-butyl (3S)-3-[4-[3-(6-cyano-1-benzofuran-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-[3-(6-cyano-1-benzofuran-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[1-[(6-cyanobenzofuran-2-yl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[4-[3-(6-cyano-2-benzofuranyl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[3-(6-cyano-1-benzofuran-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[4-[1-[(6-cyanobenzofuran-2-yl)methyl]-2-ethoxy-2-keto-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)C(CC1=CC2=C(O1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(O1)C=C(C=C2)C#N)C3=CC=C(C=C3)O[C@H]4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N2O6/c1-5-34-27(32)25(16-24-15-21-7-6-19(17-30)14-26(21)36-24)20-8-10-22(11-9-20)35-23-12-13-31(18-23)28(33)37-29(2,3)4/h6-11,14-15,23,25H,5,12-13,16,18H2,1-4H3/t23-,25?/m0/s1