2-[(E)-2-(4-methoxy-3-propoxy-phenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(4-methoxy-3-propoxy-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-methoxy-3-propoxy-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(4-methoxy-3-propoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4-methoxy-3-propoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-methoxy-3-propoxy-phenyl)vinyl]cinchoninic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-3-12-27-21-13-15(9-11-20(21)26-2)8-10-16-14-18(22(24)25)17-6-4-5-7-19(17)23-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)/b10-8+