2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-propoxyphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(4-propoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-propoxyphenyl)vinyl]cinchoninic acid Formula: C21H19NO3 MolecularWeight: 333.38046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C21H19NO3/c1-2-13-25-17-11-8-15(9-12-17)7-10-16-14-19(21(23)24)18-5-3-4-6-20(18)22-16/h3-12,14H,2,13H2,1H3,(H,23,24)/b10-7+