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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35NO4/c1-24(2,3)20-4-6-21(7-5-20)29-15-23(28)30-14-22(27)26-16-25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,17-19H,8-16H2,1-3H3,(H,26,27)