2-[(E)-2-(4-acetamidophenyl)ethenyl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(4-acetamidophenyl)ethenyl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-acetamidophenyl)vinyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(4-acetamidophenyl)ethenyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4-acetamidophenyl)ethenyl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-acetamidophenyl)vinyl]-6-methyl-cinchoninic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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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(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)/C=C/C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H18N2O3/c1-13-3-10-20-18(11-13)19(21(25)26)12-17(23-20)9-6-15-4-7-16(8-5-15)22-14(2)24/h3-12H,1-2H3,(H,22,24)(H,25,26)/b9-6+