2-[(E)-(2-methyl-8-oxidanylidene-quinolin-5-ylidene)-(2-methyl-8-oxidanyl-quinolin-5-yl)methyl]benzoic acid

Systemtic Name: 2-[(E)-(2-methyl-8-oxidanylidene-quinolin-5-ylidene)-(2-methyl-8-oxidanyl-quinolin-5-yl)methyl]benzoic acid Openeye Name: 2-[(E)-(8-hydroxy-2-methyl-5-quinolyl)-(2-methyl-8-oxo-5-quinolylidene)methyl]benzoic acid CAS Name: 2-[(E)-(8-hydroxy-2-methyl-5-quinolinyl)-(2-methyl-8-oxo-5-quinolinylidene)methyl]benzoic acid IUPAC Name: 2-[(E)-(8-hydroxy-2-methylquinolin-5-yl)-(2-methyl-8-oxoquinolin-5-ylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(8-hydroxy-2-methyl-5-quinolyl)-(8-keto-2-methyl-5-quinolylidene)methyl]benzoic acid Formula: C28H20N2O4 MolecularWeight: 448.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)C(=C3C=CC(=O)C4=C3C=CC(=N4)C)C5=CC=CC=C5C(=O)O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)/C(=C\3/C=CC(=O)C4=C3C=CC(=N4)C)/C5=CC=CC=C5C(=O)O)O

InChI

InChI=1S/C28H20N2O4/c1-15-7-9-20-18(11-13-23(31)26(20)29-15)25(17-5-3-4-6-22(17)28(33)34)19-12-14-24(32)27-21(19)10-8-16(2)30-27/h3-14,31H,1-2H3,(H,33,34)/b25-19-