tert-butyl 3-[4-[3-(6-cyano-1H-benzimidazol-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(6-cyano-1H-benzimidazol-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[1-[(6-cyano-1H-benzimidazol-2-yl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[3-(6-cyano-1H-benzimidazol-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(6-cyano-1H-benzimidazol-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[1-[(6-cyano-1H-benzimidazol-2-yl)methyl]-2-ethoxy-2-keto-ethyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC2=C(N1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=NC2=C(N1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H32N4O5/c1-5-35-26(33)22(15-25-30-23-11-6-18(16-29)14-24(23)31-25)19-7-9-20(10-8-19)36-21-12-13-32(17-21)27(34)37-28(2,3)4/h6-11,14,21-22H,5,12-13,15,17H2,1-4H3,(H,30,31)