2-[[2-cyclohexa-1,3-dien-1-yl-5-(dimethylamino)phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[2-cyclohexa-1,3-dien-1-yl-5-(dimethylamino)phenoxy]methyl]benzoic acid Openeye Name: 2-[[2-cyclohexa-1,3-dien-1-yl-5-(dimethylamino)phenoxy]methyl]benzoic acid CAS Name: 2-[[2-(1-cyclohexa-1,3-dienyl)-5-(dimethylamino)phenoxy]methyl]benzoic acid IUPAC Name: 2-[[2-cyclohexa-1,3-dien-1-yl-5-(dimethylamino)phenoxy]methyl]benzoic acid Traditional Name: 2-[[2-cyclohexa-1,3-dien-1-yl-5-(dimethylamino)phenoxy]methyl]benzoic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)C2=CC=CCC2)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2=CC=CCC2)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23NO3/c1-23(2)18-12-13-19(16-8-4-3-5-9-16)21(14-18)26-15-17-10-6-7-11-20(17)22(24)25/h3-4,6-8,10-14H,5,9,15H2,1-2H3,(H,24,25)