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

Systemtic Name: (E)-3-(1-adamantyl)-4-(diethylamino)but-2-enoic acid Openeye Name: (E)-3-(1-adamantyl)-4-(diethylamino)but-2-enoic acid CAS Name: (E)-3-(1-adamantyl)-4-(diethylamino)-2-butenoic acid IUPAC Name: (E)-3-(1-adamantyl)-4-(diethylamino)but-2-enoic acid Traditional Name: (E)-3-(1-adamantyl)-4-(diethylamino)but-2-enoic acid Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=CC(=O)O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-3-19(4-2)12-16(8-17(20)21)18-9-13-5-14(10-18)7-15(6-13)11-18/h8,13-15H,3-7,9-12H2,1-2H3,(H,20,21)/b16-8-