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

Systemtic Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(2,3-dimethylphenyl)piperazino]methyl]-2-furoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-13-4-3-5-16(14(13)2)20-10-8-19(9-11-20)12-15-6-7-17(23-15)18(21)22/h3-7H,8-12H2,1-2H3,(H,21,22)