(E)-3-[5-bromanyl-2-(2-piperidin-1-ylethoxy)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-(2-piperidin-1-ylethoxy)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[2-(1-piperidyl)ethoxy]phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[2-(1-piperidinyl)ethoxy]phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-(2-piperidinoethoxy)phenyl]-2-cyano-acrylic acid Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=C(C=C(C=C2)Br)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C17H19BrN2O3/c18-15-4-5-16(13(11-15)10-14(12-19)17(21)22)23-9-8-20-6-2-1-3-7-20/h4-5,10-11H,1-3,6-9H2,(H,21,22)/b14-10+