[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-methanoylphenoxy)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-methanoylphenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-formylphenoxy)acetate CAS Name: 2-(4-formylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-formylphenoxy)acetate Traditional Name: 2-(4-formylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c24-11-15-1-3-19(4-2-15)27-13-21(26)28-12-20(25)23-14-22-8-16-5-17(9-22)7-18(6-16)10-22/h1-4,11,16-18H,5-10,12-14H2,(H,23,25)