8-methyl-2-oxidanylidene-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-quinoline-3-carboxylic acid

Systemtic Name: 8-methyl-2-oxidanylidene-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-quinoline-3-carboxylic acid Openeye Name: 8-methyl-2-oxo-5-[[3-(2-quinolylmethoxy)phenyl]methoxy]-1H-quinoline-3-carboxylic acid CAS Name: 8-methyl-2-oxo-5-[[3-(2-quinolinylmethoxy)phenyl]methoxy]-1H-quinoline-3-carboxylic acid IUPAC Name: 8-methyl-2-oxo-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-quinoline-3-carboxylic acid Traditional Name: 2-keto-8-methyl-5-[3-(2-quinolylmethoxy)benzyl]oxy-1H-quinoline-3-carboxylic acid Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C=C(C(=O)N2)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C28H22N2O5/c1-17-9-12-25(22-14-23(28(32)33)27(31)30-26(17)22)35-15-18-5-4-7-21(13-18)34-16-20-11-10-19-6-2-3-8-24(19)29-20/h2-14H,15-16H2,1H3,(H,30,31)(H,32,33)