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

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3/c1-14(18(24)23(2)17-6-4-3-5-7-17)26-19(25)20-9-15-8-16(10-20)12-21(22,11-15)13-20/h3-7,14-16H,8-13H2,1-2H3