(4-cyanophenyl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (4-cyanobenzyl) ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=CC=C(C=C5)C#N)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=CC=C(C=C5)C#N)O

InChI

InChI=1S/C24H28N2O4/c25-12-15-1-3-16(4-2-15)14-30-22(28)21-8-20(27)13-26(21)23(29)24-9-17-5-18(10-24)7-19(6-17)11-24/h1-4,17-21,27H,5-11,13-14H2