2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylamino]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylamino]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]phenoxy]-2-phenyl-acetic acid Formula: C22H18ClNO5 MolecularWeight: 411.83502

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)Cl

InChI

InChI=1S/C22H18ClNO5/c23-18-11-20-19(27-13-28-20)10-15(18)12-24-16-6-8-17(9-7-16)29-21(22(25)26)14-4-2-1-3-5-14/h1-11,21,24H,12-13H2,(H,25,26)