1-[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxidanylidene-quinoxalin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxidanylidene-quinoxalin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxo-quinoxalin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxo-2-quinoxalinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxoquinoxalin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-keto-quinoxalin-2-yl]isonipecotic acid Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C3CCC2CC(C3)N4C5=CC=CC=C5N=C(C4=O)N6CCC(CC6)C(=O)O

Isomeric SMILES

C1CCCC(CCC1)N2C3CCC2CC(C3)N4C5=CC=CC=C5N=C(C4=O)N6CCC(CC6)C(=O)O

InChI

InChI=1S/C29H40N4O3/c34-28-27(31-16-14-20(15-17-31)29(35)36)30-25-10-6-7-11-26(25)33(28)24-18-22-12-13-23(19-24)32(22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-24H,1-5,8-9,12-19H2,(H,35,36)