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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)N=C1C

InChI

InChI=1S/C24H29N3O3/c1-14-15(2)27-21-8-19(3-4-20(21)26-14)23(29)30-12-22(28)25-13-24-9-16-5-17(10-24)7-18(6-16)11-24/h3-4,8,16-18H,5-7,9-13H2,1-2H3,(H,25,28)