5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(3-chlorophenyl)piperazino]methyl]-2-furoic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(O2)C(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(O2)C(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN2O3/c17-12-2-1-3-13(10-12)19-8-6-18(7-9-19)11-14-4-5-15(22-14)16(20)21/h1-5,10H,6-9,11H2,(H,20,21)