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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C25H31NO6 MolecularWeight: 441.51674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H31NO6/c1-31-22(28)19-4-2-15(3-5-19)14-32-23(29)21-9-20(27)13-26(21)24(30)25-10-16-6-17(11-25)8-18(7-16)12-25/h2-5,16-18,20-21,27H,6-14H2,1H3