(E)-3-[2-(3-piperidin-1-ylpropyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-piperidin-1-ylpropyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[3-(1-piperidyl)propyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[3-(1-piperidinyl)propyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-piperidin-1-ylpropyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-piperidinopropyl)phenyl]acrylic acid Formula: C17H23NO2 MolecularWeight: 273.37002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2=CC=CC=C2C=CC(=O)O

Isomeric SMILES

C1CCN(CC1)CCCC2=CC=CC=C2/C=C/C(=O)O

InChI

InChI=1S/C17H23NO2/c19-17(20)11-10-16-8-3-2-7-15(16)9-6-14-18-12-4-1-5-13-18/h2-3,7-8,10-11H,1,4-6,9,12-14H2,(H,19,20)/b11-10+