[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26O3/c22-19(14-24-20(23)7-6-15-4-2-1-3-5-15)21-11-16-8-17(12-21)10-18(9-16)13-21/h1-5,16-18H,6-14H2