[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO4/c1-13(16-3-2-4-17(22)6-16)23-18(24)11-27-19(25)20-7-14-5-15(8-20)10-21(26,9-14)12-20/h2-4,6,13-15,26H,5,7-12H2,1H3,(H,23,24)