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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-2-21(26)19-3-5-20(6-4-19)29-14-23(28)30-13-22(27)25-15-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18H,2,7-15H2,1H3,(H,25,27)