4-[(1S,5R)-8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxidanylidene-quinoxaline-2-carboxylic acid

Systemtic Name: 4-[(1S,5R)-8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxidanylidene-quinoxaline-2-carboxylic acid Openeye Name: 4-[(1S,5R)-8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxo-quinoxaline-2-carboxylic acid CAS Name: 4-[(1S,5R)-8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxo-2-quinoxalinecarboxylic acid IUPAC Name: 4-[(1S,5R)-8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylic acid Traditional Name: 4-[(1S,5R)-8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-keto-quinoxaline-2-carboxylic acid Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)N2C3CCC2CC(C3)N4C5=CC=CC=C5N=C(C4=O)C(=O)O

Isomeric SMILES

C1CCCCCC(CCCCC1)N2[C@@H]3CC[C@H]2CC(C3)N4C5=CC=CC=C5N=C(C4=O)C(=O)O

InChI

InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23?