(E)-3-[2-chloranyl-6-(dibutylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-chloranyl-6-(dibutylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-chloro-6-(dibutylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-chloro-6-(dibutylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-chloro-6-(dibutylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-chloro-6-(dibutylamino)phenyl]acrylic acid Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C(=CC=C1)Cl)C=CC(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=C(C(=CC=C1)Cl)/C=C/C(=O)O

InChI

InChI=1S/C17H24ClNO2/c1-3-5-12-19(13-6-4-2)16-9-7-8-15(18)14(16)10-11-17(20)21/h7-11H,3-6,12-13H2,1-2H3,(H,20,21)/b11-10+