(E)-3-(1-adamantyl)-4-(4-methylpiperazin-1-yl)but-2-enoic acid

Systemtic Name: (E)-3-(1-adamantyl)-4-(4-methylpiperazin-1-yl)but-2-enoic acid Openeye Name: (E)-3-(1-adamantyl)-4-(4-methylpiperazin-1-yl)but-2-enoic acid CAS Name: (E)-3-(1-adamantyl)-4-(4-methyl-1-piperazinyl)-2-butenoic acid IUPAC Name: (E)-3-(1-adamantyl)-4-(4-methylpiperazin-1-yl)but-2-enoic acid Traditional Name: (E)-3-(1-adamantyl)-4-(4-methylpiperazino)but-2-enoic acid Formula: C19H30N2O2 MolecularWeight: 318.4537

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=CC(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1CCN(CC1)C/C(=C/C(=O)O)/C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H30N2O2/c1-20-2-4-21(5-3-20)13-17(9-18(22)23)19-10-14-6-15(11-19)8-16(7-14)12-19/h9,14-16H,2-8,10-13H2,1H3,(H,22,23)/b17-9-