4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)CCCCOC1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-22(2)15-5-6-16-25-20-8-4-3-7-18(20)12-9-17-10-13-19(14-11-17)21(23)24/h3-4,7-8,10-11,13-14H,5-6,9,12,15-16H2,1-2H3,(H,23,24)