[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H32ClNO3/c1-13-5-3-4-6-17(13)23-18(24)14(2)26-19(25)20-8-15-7-16(9-20)11-21(22,10-15)12-20/h13-17H,3-12H2,1-2H3,(H,23,24)