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

Systemtic Name: tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-3-(2-ethoxy-2-oxidanylidene-ethyl)phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-(5-cyanobenzofuran-2-yl)ethyl]-3-(2-ethoxy-2-oxo-ethyl)phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[2-(5-cyano-2-benzofuranyl)ethyl]-3-(2-ethoxy-2-oxoethyl)phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-3-(2-ethoxy-2-oxoethyl)phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[2-(5-cyanobenzofuran-2-yl)ethyl]-3-(2-ethoxy-2-keto-ethyl)phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)OC2CCN(C2)C(=O)OC(C)(C)C)CCC3=CC4=C(O3)C=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)OC2CCN(C2)C(=O)OC(C)(C)C)CCC3=CC4=C(O3)C=CC(=C4)C#N

InChI

InChI=1S/C30H34N2O6/c1-5-35-28(33)17-22-15-24(36-26-12-13-32(19-26)29(34)38-30(2,3)4)9-7-21(22)8-10-25-16-23-14-20(18-31)6-11-27(23)37-25/h6-7,9,11,14-16,26H,5,8,10,12-13,17,19H2,1-4H3