4-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid

Systemtic Name: 4-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid Openeye Name: 4-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid CAS Name: 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzoic acid IUPAC Name: 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzoic acid Traditional Name: 4-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=CC(=CC=C2)Cl)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C18H20ClNO3/c1-12(9-13-5-7-14(8-6-13)18(22)23)20-11-17(21)15-3-2-4-16(19)10-15/h2-8,10,12,17,20-21H,9,11H2,1H3,(H,22,23)