2-[[6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[6-(4-fluorophenyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[6-(4-fluorophenyl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[6-(4-fluorophenyl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[6-(4-fluorophenyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NCC1C2=CC=C(C=C2)F)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(C(=O)NCC1C2=CC=C(C=C2)F)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25FN2O3/c23-18-10-7-16(8-11-18)17-9-13-19(21(26)24-14-17)25-20(22(27)28)12-6-15-4-2-1-3-5-15/h1-5,7-8,10-11,17,19-20,25H,6,9,12-14H2,(H,24,26)(H,27,28)