[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO4/c1-2-3-4-5-23(28)26-21-8-6-20(7-9-21)22(27)16-30-24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h6-9,17-19H,2-5,10-16H2,1H3,(H,26,28)