[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3/c1-13-4-5-14(2)19(6-13)23-20(24)15(3)26-21(25)22-10-16-7-17(11-22)9-18(8-16)12-22/h4-6,15-18H,7-12H2,1-3H3,(H,23,24)