quinolin-2-ylmethyl 6-bromanyl-4-oxidanylidene-3-(quinolin-2-ylmethoxy)-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylate

Systemtic Name: quinolin-2-ylmethyl 6-bromanyl-4-oxidanylidene-3-(quinolin-2-ylmethoxy)-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylate Openeye Name: 2-quinolylmethyl 6-bromo-4-oxo-3-(2-quinolylmethoxy)-2-[3-(2-quinolylmethoxy)phenyl]chromene-8-carboxylate CAS Name: 6-bromo-4-oxo-3-(2-quinolinylmethoxy)-2-[3-(2-quinolinylmethoxy)phenyl]-1-benzopyran-8-carboxylic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 6-bromo-4-oxo-3-(quinolin-2-ylmethoxy)-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylate Traditional Name: 6-bromo-4-keto-3-(2-quinolylmethoxy)-2-[3-(2-quinolylmethoxy)phenyl]chromene-8-carboxylic acid 2-quinolylmethyl ester Formula: C46H30BrN3O6 MolecularWeight: 800.6509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C4=C(C(=O)C5=CC(=CC(=C5O4)C(=O)OCC6=NC7=CC=CC=C7C=C6)Br)OCC8=NC9=CC=CC=C9C=C8

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C4=C(C(=O)C5=CC(=CC(=C5O4)C(=O)OCC6=NC7=CC=CC=C7C=C6)Br)OCC8=NC9=CC=CC=C9C=C8

InChI

InChI=1S/C46H30BrN3O6/c47-32-23-37-42(51)45(54-26-34-20-17-29-9-2-5-14-40(29)49-34)43(31-11-7-12-36(22-31)53-25-33-19-16-28-8-1-4-13-39(28)48-33)56-44(37)38(24-32)46(52)55-27-35-21-18-30-10-3-6-15-41(30)50-35/h1-24H,25-27H2