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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]cinchoninic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC=C

InChI

InChI=1S/C22H19NO4/c1-3-12-27-20-11-9-15(13-21(20)26-2)8-10-16-14-18(22(24)25)17-6-4-5-7-19(17)23-16/h3-11,13-14H,1,12H2,2H3,(H,24,25)/b10-8+