4-[2-[ethanoyl-[[4-(4-fluorophenyl)-3-oxidanyl-butyl]amino]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[ethanoyl-[[4-(4-fluorophenyl)-3-oxidanyl-butyl]amino]amino]ethyl]benzoic acid Openeye Name: 4-[2-[acetyl-[[4-(4-fluorophenyl)-3-hydroxy-butyl]amino]amino]ethyl]benzoic acid CAS Name: 4-[2-[acetyl-[[4-(4-fluorophenyl)-3-hydroxybutyl]amino]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[acetyl-[[4-(4-fluorophenyl)-3-hydroxybutyl]amino]amino]ethyl]benzoic acid Traditional Name: 4-[2-[acetyl-[[4-(4-fluorophenyl)-3-hydroxy-butyl]amino]amino]ethyl]benzoic acid Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=C(C=C2)F)O

Isomeric SMILES

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C21H25FN2O4/c1-15(25)24(13-11-16-2-6-18(7-3-16)21(27)28)23-12-10-20(26)14-17-4-8-19(22)9-5-17/h2-9,20,23,26H,10-14H2,1H3,(H,27,28)