methyl 2-[4-[(8-bromanyl-3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(8-bromanyl-3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(8-bromo-3-butyl-4-oxo-1-quinolyl)methyl]phenyl]benzoate CAS Name: 2-[4-[(8-bromo-3-butyl-4-oxo-1-quinolinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(8-bromo-3-butyl-4-oxoquinolin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(8-bromo-3-butyl-4-keto-1-quinolyl)methyl]phenyl]benzoic acid methyl ester Formula: C28H26BrNO3 MolecularWeight: 504.41494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=CC=C2Br)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=CC=C2Br)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H26BrNO3/c1-3-4-8-21-18-30(26-24(27(21)31)11-7-12-25(26)29)17-19-13-15-20(16-14-19)22-9-5-6-10-23(22)28(32)33-2/h5-7,9-16,18H,3-4,8,17H2,1-2H3