3-chloranyl-4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethoxy]benzonitrile Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-26-15-6-8-19(27-2)16(11-15)18-4-3-9-24(18)21(25)13-28-20-7-5-14(12-23)10-17(20)22/h5-8,10-11,18H,3-4,9,13H2,1-2H3/t18-/m1/s1