4-[(3-fluoranyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoic acid

Systemtic Name: 4-[(3-fluoranyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoic acid Openeye Name: 4-[(7-fluoro-1,1,4,4-tetramethyl-tetralin-6-yl)methylamino]benzoic acid CAS Name: 4-[(3-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoic acid IUPAC Name: 4-[(3-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoic acid Traditional Name: 4-[(7-fluoro-1,1,4,4-tetramethyl-tetralin-6-yl)methylamino]benzoic acid Formula: C22H26FNO2 MolecularWeight: 355.445743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=CC(=C(C=C21)CNC3=CC=C(C=C3)C(=O)O)F)(C)C)C

Isomeric SMILES

CC1(CCC(C2=CC(=C(C=C21)CNC3=CC=C(C=C3)C(=O)O)F)(C)C)C

InChI

InChI=1S/C22H26FNO2/c1-21(2)9-10-22(3,4)18-12-19(23)15(11-17(18)21)13-24-16-7-5-14(6-8-16)20(25)26/h5-8,11-12,24H,9-10,13H2,1-4H3,(H,25,26)