[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24ClNO3/c1-12(18(23)22-17-4-2-3-16(21)8-17)25-19(24)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,22,23)