[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H22N2O5/c1-27-17-8-9-20(28-2)18(12-17)19-7-4-10-24(19)21(25)14-29-22(26)16-6-3-5-15(11-16)13-23/h3,5-6,8-9,11-12,19H,4,7,10,14H2,1-2H3