tert-butyl (3S)-3-[4-[(E)-2-(5-cyano-1-benzofuran-2-yl)ethenyl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-[(E)-2-(5-cyano-1-benzofuran-2-yl)ethenyl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[(E)-2-(5-cyanobenzofuran-2-yl)vinyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[4-[(E)-2-(5-cyano-2-benzofuranyl)ethenyl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[(E)-2-(5-cyano-1-benzofuran-2-yl)ethenyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[4-[(E)-2-(5-cyanobenzofuran-2-yl)vinyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)C=CC3=CC4=C(O3)C=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)OC2=CC=C(C=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C#N

InChI

InChI=1S/C26H26N2O4/c1-26(2,3)32-25(29)28-13-12-23(17-28)30-21-8-4-18(5-9-21)6-10-22-15-20-14-19(16-27)7-11-24(20)31-22/h4-11,14-15,23H,12-13,17H2,1-3H3/b10-6+/t23-/m0/s1