(1S,4R)-3-(1-adamantyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Systemtic Name: (1S,4R)-3-(1-adamantyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Openeye Name: (1S,4R)-3-(1-adamantyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid CAS Name: (1S,4R)-3-[1-adamantyloxy(oxo)methyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: (1S,4R)-3-(1-adamantyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Traditional Name: (1S,4R)-3-(1-adamantyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Formula: C19H24O4 MolecularWeight: 316.39146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4C5CC(C4C(=O)O)C=C5

Isomeric SMILES

C1[C@H]2C=C[C@@H]1C(C2C(=O)O)C(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H24O4/c20-17(21)15-13-1-2-14(6-13)16(15)18(22)23-19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,10-16H,3-9H2,(H,20,21)/t10?,11?,12?,13-,14+,15?,16?,19?/m1/s1