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

Systemtic Name: [1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloroanilino)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(2-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=C1Cl)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

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