5-tert-butyl-2-[(2R)-3-(5-chloranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]benzaldehyde

Systemtic Name: 5-tert-butyl-2-[(2R)-3-(5-chloranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]benzaldehyde Openeye Name: 5-tert-butyl-2-[(2R)-3-(5-chlorospiro[3H-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]benzaldehyde CAS Name: 5-tert-butyl-2-[(2R)-3-(5-chloro-1'-spiro[3H-benzofuran-2,4'-piperidine]yl)-2-hydroxypropoxy]benzaldehyde IUPAC Name: 5-tert-butyl-2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]benzaldehyde Traditional Name: 5-tert-butyl-2-[(2R)-3-(5-chlorospiro[coumaran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]benzaldehyde Formula: C26H32ClNO4 MolecularWeight: 457.98958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)Cl)O)C=O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC[C@@H](CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)Cl)O)C=O

InChI

InChI=1S/C26H32ClNO4/c1-25(2,3)20-4-6-23(19(12-20)16-29)31-17-22(30)15-28-10-8-26(9-11-28)14-18-13-21(27)5-7-24(18)32-26/h4-7,12-13,16,22,30H,8-11,14-15,17H2,1-3H3/t22-/m1/s1