[(3S)-2-oxidanylideneoxolan-3-yl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NO5/c24-19(28-18-5-6-27-20(18)25)16-1-3-17(4-2-16)23-21(26)22-10-13-7-14(11-22)9-15(8-13)12-22/h1-4,13-15,18H,5-12H2,(H,23,26)/t13?,14?,15?,18-,22?/m0/s1