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

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] adamantane-2-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H27NO4/c1-2-20(25)23-18-5-3-15(4-6-18)19(24)12-27-22(26)21-16-8-13-7-14(10-16)11-17(21)9-13/h3-6,13-14,16-17,21H,2,7-12H2,1H3,(H,23,25)