(2Z)-4-(1-adamantyloxy)-2-(dimethylaminomethylidene)-3-oxidanylidene-butanoic acid

Systemtic Name: (2Z)-4-(1-adamantyloxy)-2-(dimethylaminomethylidene)-3-oxidanylidene-butanoic acid Openeye Name: (2Z)-4-(1-adamantyloxy)-2-(dimethylaminomethylene)-3-oxo-butanoic acid CAS Name: (2Z)-4-(1-adamantyloxy)-2-(dimethylaminomethylidene)-3-oxobutanoic acid IUPAC Name: (2Z)-4-(1-adamantyloxy)-2-(dimethylaminomethylidene)-3-oxobutanoic acid Traditional Name: (Z)-2-[2-(1-adamantyloxy)acetyl]-3-(dimethylamino)acrylic acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C(=O)COC12CC3CC(C1)CC(C3)C2)C(=O)O

Isomeric SMILES

CN(C)/C=C(/C(=O)COC12CC3CC(C1)CC(C3)C2)\C(=O)O

InChI

InChI=1S/C17H25NO4/c1-18(2)9-14(16(20)21)15(19)10-22-17-6-11-3-12(7-17)5-13(4-11)8-17/h9,11-13H,3-8,10H2,1-2H3,(H,20,21)/b14-9-