methyl 4-[[3-(4-cyanophenyl)-1-(3-oxidanylazetidin-3-yl)propyl]-methyl-amino]benzoate

Systemtic Name: methyl 4-[[3-(4-cyanophenyl)-1-(3-oxidanylazetidin-3-yl)propyl]-methyl-amino]benzoate Openeye Name: methyl 4-[[3-(4-cyanophenyl)-1-(3-hydroxyazetidin-3-yl)propyl]-methyl-amino]benzoate CAS Name: 4-[[3-(4-cyanophenyl)-1-(3-hydroxy-3-azetidinyl)propyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-cyanophenyl)-1-(3-hydroxyazetidin-3-yl)propyl]-methylamino]benzoate Traditional Name: 4-[[3-(4-cyanophenyl)-1-(3-hydroxyazetidin-3-yl)propyl]-methyl-amino]benzoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)OC)C(CCC2=CC=C(C=C2)C#N)C3(CNC3)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)OC)C(CCC2=CC=C(C=C2)C#N)C3(CNC3)O

InChI

InChI=1S/C22H25N3O3/c1-25(19-10-8-18(9-11-19)21(26)28-2)20(22(27)14-24-15-22)12-7-16-3-5-17(13-23)6-4-16/h3-6,8-11,20,24,27H,7,12,14-15H2,1-2H3