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

Systemtic Name: tert-butyl 3-[4-[3-(5-cyano-1-benzofuran-3-yl)propyl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-(5-cyanobenzofuran-3-yl)propyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[3-(5-cyano-3-benzofuranyl)propyl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(5-cyano-1-benzofuran-3-yl)propyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[3-(5-cyanobenzofuran-3-yl)propyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)CCCC3=COC4=C3C=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)CCCC3=COC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C27H30N2O4/c1-27(2,3)33-26(30)29-14-13-23(17-29)32-22-10-7-19(8-11-22)5-4-6-21-18-31-25-12-9-20(16-28)15-24(21)25/h7-12,15,18,23H,4-6,13-14,17H2,1-3H3