[(1R)-2-oxidanylidenecyclohexyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1R)-2-oxocyclohexyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1R)-2-ketocyclohexyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(=O)[C@@H](C1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N3O3/c24-18-7-3-4-8-19(18)26-20(25)15-11-9-14(10-12-15)13-23-17-6-2-1-5-16(17)21-22-23/h1-2,5-6,9-12,19H,3-4,7-8,13H2/t19-/m1/s1