(2-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylic acid (2-cyanobenzyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H21NO4/c23-14-16-5-1-2-6-17(16)15-27-21(24)22(9-3-4-10-22)18-7-8-19-20(13-18)26-12-11-25-19/h1-2,5-8,13H,3-4,9-12,15H2