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

Systemtic Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: (4-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 (4-cyanophenyl)methyl ester IUPAC Name: (4-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 (4-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=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21NO4/c23-14-16-3-5-17(6-4-16)15-27-21(24)22(9-1-2-10-22)18-7-8-19-20(13-18)26-12-11-25-19/h3-8,13H,1-2,9-12,15H2