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

Systemtic Name: (E)-3-(1-adamantyl)-4-(dimethylamino)but-2-enoic acid Openeye Name: (E)-3-(1-adamantyl)-4-(dimethylamino)but-2-enoic acid CAS Name: (E)-3-(1-adamantyl)-4-(dimethylamino)-2-butenoic acid IUPAC Name: (E)-3-(1-adamantyl)-4-(dimethylamino)but-2-enoic acid Traditional Name: (E)-3-(1-adamantyl)-4-(dimethylamino)but-2-enoic acid Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=CC(=O)O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CN(C)C/C(=C/C(=O)O)/C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C16H25NO2/c1-17(2)10-14(6-15(18)19)16-7-11-3-12(8-16)5-13(4-11)9-16/h6,11-13H,3-5,7-10H2,1-2H3,(H,18,19)/b14-6-