(E)-3-[3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]acrylic acid Formula: C15H19FN2O2 MolecularWeight: 278.321963

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)C=CC(=O)O)F

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)O)F

InChI

InChI=1S/C15H19FN2O2/c1-17-7-2-8-18(10-9-17)14-5-3-12(11-13(14)16)4-6-15(19)20/h3-6,11H,2,7-10H2,1H3,(H,19,20)/b6-4+