[(1S)-2-oxidanylidenecyclohexyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO4/c26-20-3-1-2-4-21(20)29-22(27)18-5-7-19(8-6-18)25-23(28)24-12-15-9-16(13-24)11-17(10-15)14-24/h5-8,15-17,21H,1-4,9-14H2,(H,25,28)/t15?,16?,17?,21-,24?/m0/s1