[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate CAS Name: 4-[[(2R)-2-oxolanyl]methoxy]benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Traditional Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33NO5/c27-23(26-16-25-11-17-8-18(12-25)10-19(9-17)13-25)15-31-24(28)20-3-5-21(6-4-20)30-14-22-2-1-7-29-22/h3-6,17-19,22H,1-2,7-16H2,(H,26,27)/t17?,18?,19?,22-,25?/m1/s1