(E)-3-[2-(3-ethylpiperidin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-ethylpiperidin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-ethyl-1-piperidyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-ethyl-1-piperidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-ethylpiperidin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-ethylpiperidino)phenyl]acrylic acid Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)C2=CC=CC=C2C=CC(=O)O

Isomeric SMILES

CCC1CCCN(C1)C2=CC=CC=C2/C=C/C(=O)O

InChI

InChI=1S/C16H21NO2/c1-2-13-6-5-11-17(12-13)15-8-4-3-7-14(15)9-10-16(18)19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,18,19)/b10-9+