[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-methoxybenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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