1-(2-hydroxyethyl)-4-oxidanylidene-6-[(3-phenylphenyl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 1-(2-hydroxyethyl)-4-oxidanylidene-6-[(3-phenylphenyl)methyl]quinoline-3-carboxylic acid Openeye Name: 1-(2-hydroxyethyl)-4-oxo-6-[(3-phenylphenyl)methyl]quinoline-3-carboxylic acid CAS Name: 1-(2-hydroxyethyl)-4-oxo-6-[(3-phenylphenyl)methyl]-3-quinolinecarboxylic acid IUPAC Name: 1-(2-hydroxyethyl)-4-oxo-6-[(3-phenylphenyl)methyl]quinoline-3-carboxylic acid Traditional Name: 1-(2-hydroxyethyl)-4-keto-6-(3-phenylbenzyl)quinoline-3-carboxylic acid Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)CC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CCO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)CC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CCO

InChI

InChI=1S/C25H21NO4/c27-12-11-26-16-22(25(29)30)24(28)21-15-18(9-10-23(21)26)13-17-5-4-8-20(14-17)19-6-2-1-3-7-19/h1-10,14-16,27H,11-13H2,(H,29,30)