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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5/c23-13-15-3-5-16(6-4-15)22(26)29-14-21(25)24-9-1-2-18(24)17-7-8-19-20(12-17)28-11-10-27-19/h3-8,12,18H,1-2,9-11,14H2