tert-butyl 4-[(5-cyano-2-methyl-3-phenyl-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-cyano-2-methyl-3-phenyl-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-2-methyl-3-phenyl-benzofuran-4-yl)oxypiperidine-1-carboxylate CAS Name: 4-[(5-cyano-2-methyl-3-phenyl-4-benzofuranyl)oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-cyano-2-methyl-3-phenyl-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate Traditional Name: 4-(5-cyano-2-methyl-3-phenyl-benzofuran-4-yl)oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2OC3CCN(CC3)C(=O)OC(C)(C)C)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2OC3CCN(CC3)C(=O)OC(C)(C)C)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4/c1-17-22(18-8-6-5-7-9-18)23-21(30-17)11-10-19(16-27)24(23)31-20-12-14-28(15-13-20)25(29)32-26(2,3)4/h5-11,20H,12-15H2,1-4H3