[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H31NO4/c1-15(21(26)25-19-5-6-19)29-22(27)24-12-16-9-17(13-24)11-23(10-16,14-24)18-3-7-20(28-2)8-4-18/h3-4,7-8,15-17,19H,5-6,9-14H2,1-2H3,(H,25,26)