3-[4-[(1-butylpiperidin-4-yl)-phenyl-methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(1-butylpiperidin-4-yl)-phenyl-methyl]phenyl]propanoic acid Openeye Name: 3-[4-[(1-butyl-4-piperidyl)-phenyl-methyl]phenyl]propanoic acid CAS Name: 3-[4-[(1-butyl-4-piperidinyl)-phenylmethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(1-butylpiperidin-4-yl)-phenylmethyl]phenyl]propanoic acid Traditional Name: 3-[4-[(1-butyl-4-piperidyl)-phenyl-methyl]phenyl]propionic acid Formula: C25H33NO2 MolecularWeight: 379.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C25H33NO2/c1-2-3-17-26-18-15-23(16-19-26)25(21-7-5-4-6-8-21)22-12-9-20(10-13-22)11-14-24(27)28/h4-10,12-13,23,25H,2-3,11,14-19H2,1H3,(H,27,28)