4-[[6-(4-chlorophenyl)-6-oxidanyl-hexyl]amino]benzoic acid

Systemtic Name: 4-[[6-(4-chlorophenyl)-6-oxidanyl-hexyl]amino]benzoic acid Openeye Name: 4-[[6-(4-chlorophenyl)-6-hydroxy-hexyl]amino]benzoic acid CAS Name: 4-[[6-(4-chlorophenyl)-6-hydroxyhexyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-chlorophenyl)-6-hydroxyhexyl]amino]benzoic acid Traditional Name: 4-[[6-(4-chlorophenyl)-6-hydroxy-hexyl]amino]benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCCCNC2=CC=C(C=C2)C(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CCCCCNC2=CC=C(C=C2)C(=O)O)O)Cl

InChI

InChI=1S/C19H22ClNO3/c20-16-9-5-14(6-10-16)18(22)4-2-1-3-13-21-17-11-7-15(8-12-17)19(23)24/h5-12,18,21-22H,1-4,13H2,(H,23,24)