[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33NO4/c1-2-3-8-28-21-6-4-20(5-7-21)23(27)29-15-22(26)25-16-24-12-17-9-18(13-24)11-19(10-17)14-24/h4-7,17-19H,2-3,8-16H2,1H3,(H,25,26)