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

Systemtic Name: tert-butyl 3-[4-[3-(5-cyano-3-methyl-1-benzofuran-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[1-[(5-cyano-3-methyl-benzofuran-2-yl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[3-(5-cyano-3-methyl-2-benzofuranyl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(5-cyano-3-methyl-1-benzofuran-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[1-[(5-cyano-3-methyl-benzofuran-2-yl)methyl]-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)C(CC1=C(C2=C(O1)C=CC(=C2)C#N)C)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C2=C(O1)C=CC(=C2)C#N)C)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N2O6/c1-6-35-28(33)25(16-27-19(2)24-15-20(17-31)7-12-26(24)37-27)21-8-10-22(11-9-21)36-23-13-14-32(18-23)29(34)38-30(3,4)5/h7-12,15,23,25H,6,13-14,16,18H2,1-5H3