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

Systemtic Name: 3-cyanopropyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: 3-cyanopropyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC#N

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC#N

InChI

InChI=1S/C18H21NO4/c19-9-3-4-10-23-17(20)18(7-1-2-8-18)14-5-6-15-16(13-14)22-12-11-21-15/h5-6,13H,1-4,7-8,10-12H2