6-cyano-7-[4-(quinolin-2-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 6-cyano-7-[4-(quinolin-2-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-cyano-7-[4-(2-quinolylcarbamoyl)phenoxy]chromane-4-carboxylic acid CAS Name: 6-cyano-7-[4-[oxo-(2-quinolinylamino)methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-7-[4-(quinolin-2-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-cyano-7-[4-(2-quinolylcarbamoyl)phenoxy]chroman-4-carboxylic acid Formula: C27H19N3O5 MolecularWeight: 465.45686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NC4=NC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NC4=NC5=CC=CC=C5C=C4)C#N

InChI

InChI=1S/C27H19N3O5/c28-15-18-13-21-20(27(32)33)11-12-34-24(21)14-23(18)35-19-8-5-17(6-9-19)26(31)30-25-10-7-16-3-1-2-4-22(16)29-25/h1-10,13-14,20H,11-12H2,(H,32,33)(H,29,30,31)