2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)-2-furyl]vinyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)-2-furanyl]ethenyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[5-(4-carbethoxyphenyl)-2-furyl]vinyl]-6-methyl-cinchoninic acid Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)O

InChI

InChI=1S/C26H21NO5/c1-3-31-26(30)18-7-5-17(6-8-18)24-13-11-20(32-24)10-9-19-15-22(25(28)29)21-14-16(2)4-12-23(21)27-19/h4-15H,3H2,1-2H3,(H,28,29)/b10-9+