(3-cyano-8-methyl-2-oxidanylidene-1H-quinolin-5-yl) 3-(quinolin-2-ylmethoxy)benzoate

Systemtic Name: (3-cyano-8-methyl-2-oxidanylidene-1H-quinolin-5-yl) 3-(quinolin-2-ylmethoxy)benzoate Openeye Name: (3-cyano-8-methyl-2-oxo-1H-quinolin-5-yl) 3-(2-quinolylmethoxy)benzoate CAS Name: 3-(2-quinolinylmethoxy)benzoic acid (3-cyano-8-methyl-2-oxo-1H-quinolin-5-yl) ester IUPAC Name: (3-cyano-8-methyl-2-oxo-1H-quinolin-5-yl) 3-(quinolin-2-ylmethoxy)benzoate Traditional Name: 3-(2-quinolylmethoxy)benzoic acid (3-cyano-2-keto-8-methyl-1H-quinolin-5-yl) ester Formula: C28H19N3O4 MolecularWeight: 461.46816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC(=O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C=C(C(=O)N2)C#N

Isomeric SMILES

CC1=C2C(=C(C=C1)OC(=O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C=C(C(=O)N2)C#N

InChI

InChI=1S/C28H19N3O4/c1-17-9-12-25(23-14-20(15-29)27(32)31-26(17)23)35-28(33)19-6-4-7-22(13-19)34-16-21-11-10-18-5-2-3-8-24(18)30-21/h2-14H,16H2,1H3,(H,31,32)