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

Systemtic Name: 5-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(m-tolyl)piperazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(m-tolyl)piperazino]methyl]-2-furoic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H20N2O3/c1-13-3-2-4-14(11-13)19-9-7-18(8-10-19)12-15-5-6-16(22-15)17(20)21/h2-6,11H,7-10,12H2,1H3,(H,20,21)