methyl 4-[1-(1-adamantylcarbonyl)piperidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[1-(1-adamantylcarbonyl)piperidin-4-yl]oxybenzoate Openeye Name: methyl 4-[[1-(adamantane-1-carbonyl)-4-piperidyl]oxy]benzoate CAS Name: 4-[[1-[1-adamantyl(oxo)methyl]-4-piperidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate Traditional Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidyl]oxy]benzoic acid methyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31NO4/c1-28-22(26)19-2-4-20(5-3-19)29-21-6-8-25(9-7-21)23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18,21H,6-15H2,1H3