5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[[3-(4-fluorophenyl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(4-fluorophenyl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C19H22FNO4 MolecularWeight: 347.380683

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)F)NCC(C2=CC(=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)F)NCC(C2=CC(=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C19H22FNO4/c1-12(2-3-13-4-7-15(20)8-5-13)21-11-18(23)14-6-9-17(22)16(10-14)19(24)25/h4-10,12,18,21-23H,2-3,11H2,1H3,(H,24,25)