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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(2-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)NC3C4CC5CC(C4)CC3C5)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5)N=C1C

InChI

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