[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[4-(phenylcarbonyl)phenoxy]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[4-(phenylcarbonyl)phenoxy]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-benzoylphenoxy)acetate CAS Name: 2-(4-benzoylphenoxy)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate Traditional Name: 2-(4-benzoylphenoxy)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5/c29-24(28-27-13-18-10-19(14-27)12-20(11-18)15-27)16-33-25(30)17-32-23-8-6-22(7-9-23)26(31)21-4-2-1-3-5-21/h1-9,18-20H,10-17H2,(H,28,29)