4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-fluoranyl-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-fluoranyl-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-fluoro-2-(o-tolyl)benzoic acid CAS Name: 4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-fluoro-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-fluoro-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-fluoro-2-(o-tolyl)benzoic acid Formula: C25H32FNO2 MolecularWeight: 397.525483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)NCC2=C(C=C(C(=C2)C3=CC=CC=C3C)C(=O)O)F

Isomeric SMILES

CCC(CC1CCCCC1)NCC2=C(C=C(C(=C2)C3=CC=CC=C3C)C(=O)O)F

InChI

InChI=1S/C25H32FNO2/c1-3-20(13-18-10-5-4-6-11-18)27-16-19-14-22(21-12-8-7-9-17(21)2)23(25(28)29)15-24(19)26/h7-9,12,14-15,18,20,27H,3-6,10-11,13,16H2,1-2H3,(H,28,29)