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

Systemtic Name: (2Z)-4-(1-adamantyloxy)-3-oxidanylidene-2-(phenylmethylidene)butanoic acid Openeye Name: (2Z)-4-(1-adamantyloxy)-2-benzylidene-3-oxo-butanoic acid CAS Name: (2Z)-4-(1-adamantyloxy)-3-oxo-2-(phenylmethylene)butanoic acid IUPAC Name: (2Z)-4-(1-adamantyloxy)-2-benzylidene-3-oxobutanoic acid Traditional Name: (Z)-2-[2-(1-adamantyloxy)acetyl]-3-phenyl-acrylic acid Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC(=O)C(=CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCC(=O)/C(=C/C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C21H24O4/c22-19(18(20(23)24)9-14-4-2-1-3-5-14)13-25-21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,9,15-17H,6-8,10-13H2,(H,23,24)/b18-9-