methyl 4-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-(1-adamantylmethylamino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(1-adamantylmethylamino)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantylmethylamino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-(1-adamantylmethylamino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-25-20(24)17-2-4-18(5-3-17)26-12-19(23)22-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,22,23)