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

Systemtic Name: 5-[[4-(phenylmethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-benzyl-1-piperidyl)methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-benzylpiperidin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-benzylpiperidino)methyl]-2-furoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C18H21NO3/c20-18(21)17-7-6-16(22-17)13-19-10-8-15(9-11-19)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,20,21)