[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H20N2O5/c23-13-15-3-1-4-17(11-15)22(26)29-14-21(25)24-8-2-5-18(24)16-6-7-19-20(12-16)28-10-9-27-19/h1,3-4,6-7,11-12,18H,2,5,8-10,14H2