[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H28N2O6/c1-23(11-17(24)22-10-16-3-2-4-28-16)18(25)12-29-19(26)20-6-14-5-15(7-20)9-21(27,8-14)13-20/h2-4,14-15,27H,5-13H2,1H3,(H,22,24)/t14-,15+,20?,21?