3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride CAS Name: 1-adamantanecarboxylic acid 3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl ester dichloride IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride Traditional Name: adamantane-1-carboxylic acid 3-[4-(2-methoxyphenyl)piperazino]propyl ester dichloride Formula: C25H36Cl2N2O3-2 MolecularWeight: 483.47094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCOC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCOC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

InChI

InChI=1S/C25H36N2O3.2ClH/c1-29-23-6-3-2-5-22(23)27-10-8-26(9-11-27)7-4-12-30-24(28)25-16-19-13-20(17-25)15-21(14-19)18-25;;/h2-3,5-6,19-21H,4,7-18H2,1H3;2*1H/p-2