tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)-3-methoxy-3-oxidanylidene-propyl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)-3-methoxy-3-oxidanylidene-propyl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-(5-cyanobenzofuran-2-yl)-3-methoxy-3-oxo-propyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[2-(5-cyano-2-benzofuranyl)-3-methoxy-3-oxopropyl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)-3-methoxy-3-oxopropyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[2-(5-cyanobenzofuran-2-yl)-3-keto-3-methoxy-propyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)CC(C3=CC4=C(O3)C=CC(=C4)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)CC(C3=CC4=C(O3)C=CC(=C4)C#N)C(=O)OC

InChI

InChI=1S/C28H30N2O6/c1-28(2,3)36-27(32)30-12-11-22(17-30)34-21-8-5-18(6-9-21)14-23(26(31)33-4)25-15-20-13-19(16-29)7-10-24(20)35-25/h5-10,13,15,22-23H,11-12,14,17H2,1-4H3