3-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(4-phenyl-1-piperazinyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(4-phenylpiperazino)methyl]-2-furoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(OC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(OC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O3/c19-16(20)15-13(6-11-21-15)12-17-7-9-18(10-8-17)14-4-2-1-3-5-14/h1-6,11H,7-10,12H2,(H,19,20)