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

Systemtic Name: 4-[(1S,5R)-8-cycloundecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxidanylidene-quinoxaline-2-carboxylic acid Openeye Name: 4-[(1S,5R)-8-cycloundecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxo-quinoxaline-2-carboxylic acid CAS Name: 4-[(1S,5R)-8-cycloundecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxo-2-quinoxalinecarboxylic acid IUPAC Name: 4-[(1S,5R)-8-cycloundecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylic acid Traditional Name: 4-[(1S,5R)-8-cycloundecyl-8-azabicyclo[3.2.1]octan-3-yl]-3-keto-quinoxaline-2-carboxylic acid Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCC1)N2C3CCC2CC(C3)N4C5=CC=CC=C5N=C(C4=O)C(=O)O

Isomeric SMILES

C1CCCCCC(CCCC1)N2[C@@H]3CC[C@H]2CC(C3)N4C5=CC=CC=C5N=C(C4=O)C(=O)O

InChI

InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22?