2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[5-(3-chlorophenyl)-2-furyl]vinyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-(3-chlorophenyl)-2-furanyl]ethenyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[5-(3-chlorophenyl)-2-furyl]vinyl]-6-methyl-cinchoninic acid Formula: C23H16ClNO3 MolecularWeight: 389.83104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C=CC3=CC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)/C=C/C3=CC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H16ClNO3/c1-14-5-9-21-19(11-14)20(23(26)27)13-17(25-21)6-7-18-8-10-22(28-18)15-3-2-4-16(24)12-15/h2-13H,1H3,(H,26,27)/b7-6+