(2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylcyclohexyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylcyclohexyl) 4-methyl-3-nitro-benzoate Openeye Name: (2-spiro[indoline-3,4'-piperidine]-1'-ylcyclohexyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(1'-spiro[1,2-dihydroindole-3,4'-piperidine]yl)cyclohexyl] ester IUPAC Name: (2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylcyclohexyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-spiro[indoline-3,4'-piperidine]-1'-ylcyclohexyl) ester Formula: C26H31N3O4 MolecularWeight: 449.54204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2CCCCC2N3CCC4(CC3)CNC5=CC=CC=C45)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2CCCCC2N3CCC4(CC3)CNC5=CC=CC=C45)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O4/c1-18-10-11-19(16-23(18)29(31)32)25(30)33-24-9-5-4-8-22(24)28-14-12-26(13-15-28)17-27-21-7-3-2-6-20(21)26/h2-3,6-7,10-11,16,22,24,27H,4-5,8-9,12-15,17H2,1H3