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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O5/c1-33-25(31)18-3-4-21(26(32)34-2)22(14-18)27-23(30)15-28-5-7-29(8-6-28)24-19-10-16-9-17(12-19)13-20(24)11-16/h3-4,14,16-17,19-20,24H,5-13,15H2,1-2H3,(H,27,30)