benzotriazol-1-yl (1S,2S)-2-(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: benzotriazol-1-yl (1S,2S)-2-(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: benzotriazol-1-yl (1S,2S)-2-benzoylcyclohexanecarboxylate CAS Name: (1S,2S)-2-benzoyl-1-cyclohexanecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl (1S,2S)-2-benzoylcyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-benzoylcyclohexanecarboxylic acid benzotriazol-1-yl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)C2=CC=CC=C2)C(=O)ON3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)C2=CC=CC=C2)C(=O)ON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N3O3/c24-19(14-8-2-1-3-9-14)15-10-4-5-11-16(15)20(25)26-23-18-13-7-6-12-17(18)21-22-23/h1-3,6-9,12-13,15-16H,4-5,10-11H2/t15-,16-/m0/s1