[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H36N2O4/c1-17(2)25(4,16-28)29-23(30)18(3)33-24(31)27-13-19-10-20(14-27)12-26(11-19,15-27)21-6-8-22(32-5)9-7-21/h6-9,17-20H,10-15H2,1-5H3,(H,29,30)