4-[3-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]cyclohexyl]benzoate

Systemtic Name: 4-[3-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]cyclohexyl]benzoate Openeye Name: 4-[3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]cyclohexyl]benzoate CAS Name: 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]benzoate IUPAC Name: 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]benzoate Traditional Name: 4-[3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]cyclohexyl]benzoate Formula: C21H23ClNO3- MolecularWeight: 372.86522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NCC(C2=CC(=CC=C2)Cl)O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC(CC(C1)NCC(C2=CC(=CC=C2)Cl)O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H24ClNO3/c22-18-5-1-4-17(11-18)20(24)13-23-19-6-2-3-16(12-19)14-7-9-15(10-8-14)21(25)26/h1,4-5,7-11,16,19-20,23-24H,2-3,6,12-13H2,(H,25,26)/p-1