[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-allyl-2-methoxy-phenoxy)acetate CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO5/c1-3-4-17-5-6-21(22(10-17)29-2)30-15-24(28)31-14-23(27)26-16-25-11-18-7-19(12-25)9-20(8-18)13-25/h3,5-6,10,18-20H,1,4,7-9,11-16H2,2H3,(H,26,27)