methyl 3-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoate

Systemtic Name: methyl 3-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoate Openeye Name: methyl 3-[4-(1-adamantylcarbamoylamino)cyclohexoxy]benzoate CAS Name: 3-[4-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoate Traditional Name: 3-[4-(1-adamantylcarbamoylamino)cyclohexoxy]benzoic acid methyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O4/c1-30-23(28)19-3-2-4-22(12-19)31-21-7-5-20(6-8-21)26-24(29)27-25-13-16-9-17(14-25)11-18(10-16)15-25/h2-4,12,16-18,20-21H,5-11,13-15H2,1H3,(H2,26,27,29)