[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H33NO5/c1-3-29-13-20-9-19(4-5-21(20)28-2)23(27)30-14-22(26)25-15-24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,16-18H,3,6-8,10-15H2,1-2H3,(H,25,26)