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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H31NO5/c29-25(28-27-13-20-10-21(14-27)12-22(11-20)15-27)17-33-26(30)18-32-24-8-6-23(7-9-24)31-16-19-4-2-1-3-5-19/h1-9,20-22H,10-18H2,(H,28,29)