(E)-3-[3-fluoranyl-4-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-fluoranyl-4-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-fluoro-4-(4-isopropylpiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-fluoro-4-(4-propan-2-yl-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-fluoro-4-(4-isopropylpiperazino)phenyl]acrylic acid Formula: C16H21FN2O2 MolecularWeight: 292.348543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=C(C=C(C=C2)C=CC(=O)O)F

Isomeric SMILES

CC(C)N1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)O)F

InChI

InChI=1S/C16H21FN2O2/c1-12(2)18-7-9-19(10-8-18)15-5-3-13(11-14(15)17)4-6-16(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)/b6-4+