[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)N4CC(=O)NC5=CC=CC=C54

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)N4CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C21H23ClN2O4/c22-21-8-13-5-14(9-21)7-20(6-13,12-21)19(27)28-11-18(26)24-10-17(25)23-15-3-1-2-4-16(15)24/h1-4,13-14H,5-12H2,(H,23,25)/t13-,14+,20?,21?