[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-phenylazanylphenoxy)ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-phenylazanylphenoxy)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-anilinophenoxy)acetate CAS Name: 2-(4-anilinophenoxy)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-anilinophenoxy)acetate Traditional Name: 2-(4-anilinophenoxy)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)COC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)COC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C26H29NO4/c28-24(26-13-18-10-19(14-26)12-20(11-18)15-26)16-31-25(29)17-30-23-8-6-22(7-9-23)27-21-4-2-1-3-5-21/h1-9,18-20,27H,10-17H2