[5-(5-bromanylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [5-(5-bromanylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: [5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl 1-benzylcyclohexanecarboxylate CAS Name: 1-(phenylmethyl)-1-cyclohexanecarboxylic acid [5-(5-bromo-2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-benzylcyclohexane-1-carboxylate Traditional Name: 1-benzylcyclohexanecarboxylic acid [5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(O4)Br

Isomeric SMILES

C1CCC(CC1)(CC2=CC=CC=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(O4)Br

InChI

InChI=1S/C21H21BrN2O4/c22-17-10-9-16(27-17)19-24-23-18(28-19)14-26-20(25)21(11-5-2-6-12-21)13-15-7-3-1-4-8-15/h1,3-4,7-10H,2,5-6,11-14H2