[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)N=C1C

InChI

InChI=1S/C23H27N3O3/c1-13-14(2)25-20-8-18(3-4-19(20)24-13)22(28)29-12-21(27)26-23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-12H2,1-2H3,(H,26,27)