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

Systemtic Name: 5-[[4-(phenylmethyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(phenylmethyl)-1-piperazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-benzylpiperazino)methyl]-2-furoic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H20N2O3/c20-17(21)16-7-6-15(22-16)13-19-10-8-18(9-11-19)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,20,21)