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

Systemtic Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-oxidanyl-azetidin-3-yl]methyl-methyl-amino]benzoic acid Openeye Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-azetidin-3-yl]methyl-methyl-amino]benzoic acid CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-3-azetidinyl]methyl-methylamino]benzoic acid IUPAC Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxyazetidin-3-yl]methyl-methylamino]benzoic acid Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-azetidin-3-yl]methyl-methyl-amino]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-23(19-8-6-18(7-9-19)20(25)26)13-21(27)14-24(15-21)11-10-16-2-4-17(12-22)5-3-16/h2-9,27H,10-11,13-15H2,1H3,(H,25,26)