[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C24H33NO5/c1-3-28-20-6-5-19(10-21(20)29-4-2)23(27)30-14-22(26)25-15-24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,16-18H,3-4,7-9,11-15H2,1-2H3,(H,25,26)