4-[8-(1-adamantyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxidanylidene-quinoxaline-2-carboxylic acid

Systemtic Name: 4-[8-(1-adamantyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxidanylidene-quinoxaline-2-carboxylic acid Openeye Name: 4-[8-(1-adamantyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxo-quinoxaline-2-carboxylic acid CAS Name: 4-[8-(1-adamantyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxo-2-quinoxalinecarboxylic acid IUPAC Name: 4-[8-(1-adamantyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylic acid Traditional Name: 4-[8-(1-adamantyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-keto-quinoxaline-2-carboxylic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C34CC5CC(C3)CC(C5)C4)N6C7=CC=CC=C7N=C(C6=O)C(=O)O

Isomeric SMILES

C1CC2CC(CC1N2C34CC5CC(C3)CC(C5)C4)N6C7=CC=CC=C7N=C(C6=O)C(=O)O

InChI

InChI=1S/C26H31N3O3/c30-24-23(25(31)32)27-21-3-1-2-4-22(21)28(24)20-10-18-5-6-19(11-20)29(18)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-4,15-20H,5-14H2,(H,31,32)