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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]methyl]-5-methyl-2-furoic acid Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CN2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CN2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-12-13(9-16(23-12)17(21)22)11-19-5-7-20(8-6-19)15-4-2-3-14(18)10-15/h2-4,9-10H,5-8,11H2,1H3,(H,21,22)