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

Systemtic Name: (E)-3-[4-bromanyl-2-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(4-methyl-1,4-diazepan-1-yl)phenyl]acrylic acid Formula: C15H19BrN2O2 MolecularWeight: 339.22756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C15H19BrN2O2/c1-17-7-2-8-18(10-9-17)14-11-13(16)5-3-12(14)4-6-15(19)20/h3-6,11H,2,7-10H2,1H3,(H,19,20)/b6-4+