dimethyl 5-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

InChI

InChI=1S/C26H35N3O5/c1-33-25(31)20-12-21(26(32)34-2)14-22(13-20)27-23(30)15-28-3-5-29(6-4-28)24-18-8-16-7-17(10-18)11-19(24)9-16/h12-14,16-19,24H,3-11,15H2,1-2H3,(H,27,30)