methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-oxidanyl-azetidin-3-yl]methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-oxidanyl-azetidin-3-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-azetidin-3-yl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-3-azetidinyl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxyazetidin-3-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-azetidin-3-yl]methyl-methyl-amino]benzoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CN(C1)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1(CN(C1)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

InChI

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