5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-1-hydroxy-ethyl]-2-methoxy-benzoic acid CAS Name: 5-[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-hydroxyethyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2-methoxybenzoic acid Traditional Name: 5-[2-[4-(3-chlorophenyl)piperazino]-1-hydroxy-ethyl]-2-methoxy-benzoic acid Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O)C(=O)O

InChI

InChI=1S/C20H23ClN2O4/c1-27-19-6-5-14(11-17(19)20(25)26)18(24)13-22-7-9-23(10-8-22)16-4-2-3-15(21)12-16/h2-6,11-12,18,24H,7-10,13H2,1H3,(H,25,26)