[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO4/c1-16(2)13-28-21-5-3-20(4-6-21)23(27)29-14-22(26)25-15-24-10-17-7-18(11-24)9-19(8-17)12-24/h3-6,16-19H,7-15H2,1-2H3,(H,25,26)