6-bromanyl-4-oxidanylidene-3-propoxy-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

Systemtic Name: 6-bromanyl-4-oxidanylidene-3-propoxy-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid Openeye Name: 6-bromo-4-oxo-3-propoxy-2-[3-(2-quinolylmethoxy)phenyl]chromene-8-carboxylic acid CAS Name: 6-bromo-4-oxo-3-propoxy-2-[3-(2-quinolinylmethoxy)phenyl]-1-benzopyran-8-carboxylic acid IUPAC Name: 6-bromo-4-oxo-3-propoxy-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid Traditional Name: 6-bromo-4-keto-3-propoxy-2-[3-(2-quinolylmethoxy)phenyl]chromene-8-carboxylic acid Formula: C29H22BrNO6 MolecularWeight: 560.39208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(OC2=C(C=C(C=C2C1=O)Br)C(=O)O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCCOC1=C(OC2=C(C=C(C=C2C1=O)Br)C(=O)O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H22BrNO6/c1-2-12-35-28-25(32)22-14-19(30)15-23(29(33)34)27(22)37-26(28)18-7-5-8-21(13-18)36-16-20-11-10-17-6-3-4-9-24(17)31-20/h3-11,13-15H,2,12,16H2,1H3,(H,33,34)