[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C22H28ClNO3/c23-22-12-17-9-18(13-22)11-21(10-17,15-22)20(26)27-14-19(25)24-8-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,24,25)