[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)N(CC3=CC=CO3)C45CC6CC(C4)CC(C6)C5)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)N(CC3=CC=CO3)C45CC6CC(C4)CC(C6)C5)N=C1C

InChI

InChI=1S/C28H31N3O4/c1-17-18(2)30-25-11-22(5-6-24(25)29-17)27(33)35-16-26(32)31(15-23-4-3-7-34-23)28-12-19-8-20(13-28)10-21(9-19)14-28/h3-7,11,19-21H,8-10,12-16H2,1-2H3