[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H28N2O5/c1-24(2)19(26)16-3-5-17(6-4-16)23-18(25)12-29-20(27)21-8-14-7-15(9-21)11-22(28,10-14)13-21/h3-6,14-15,28H,7-13H2,1-2H3,(H,23,25)/t14-,15+,21?,22?